Chemical : (5-Phenylthiophen-2-yl)ethanimidamide
Casrn : 62403-77-4 | ||||||
MolName : (5-Phenylthiophen-2-yl)ethanimidamide | ||||||
MolecularFormula : C12H12N2S | ||||||
Smiles : NC(Cc1ccc(-c2ccccc2)s1)=N | ||||||
InChI : InChI=1S/C12H12N2S/c13-12(14)8-10-6-7-11(15-10)9-4-2-1-3-5-9/h1-7H,8H2,(H3,13,14) | ||||||
InChIK : FKVNASFBJSUXAI-UHFFFAOYSA-N | ||||||
CanonicalSyTyLFy : 3b839ba3cb65afc | ||||||
TotalMolweight : 216.307 | ||||||
Molweight : 216.307 | ||||||
MonoisotopicMass : 216.072118 | ||||||
CLogP : 2.1109 | ||||||
CLogS : -2.967 | ||||||
H Acceptors : 2 | ||||||
H Donors : 2 | ||||||
TotalSurfaceArea : 171.55 | ||||||
Relative PSA : 0.29863 | ||||||
PolarSurfaceArea : 78.11 | ||||||
Druglikeness : 1.2052 | ||||||
Mutagenic : none | ||||||
Tumorigenic : none | ||||||
Reproductive Effective : none | ||||||
Irritant : none | ||||||
Nasty Functions : | ||||||
Shape Index : 0.66667 | ||||||
Molecula Flexibility : 0.49624 | ||||||
Molecular Complexity : 0.63126 | ||||||
Fragments : 1 | ||||||
Non HAtoms : 15 | ||||||
NonCHAtoms : 3 | ||||||
Electronegative Atoms : 3 | ||||||
Rotatable Bond : 3 | ||||||
Rings Closures : 2 | ||||||
Small Rings : 2 | ||||||
Aromatic Rings : 2 | ||||||
Aromatic Atoms : 11 | ||||||
Sp3Atoms : 1 | ||||||
Symmetricatoms : 2 | ||||||
BasicNitrogens : 1 | ||||||
StereoCon : | ||||||
Casrn : 62403-77-4 | ||||||
MolName : (5-Phenylthiophen-2-yl)ethanimidamide | ||||||
MolecularFormula : C12H12N2S | ||||||
Smiles : NC(Cc1ccc(-c2ccccc2)s1)=N | ||||||
InChI : InChI=1S/C12H12N2S/c13-12(14)8-10-6-7-11(15-10)9-4-2-1-3-5-9/h1-7H,8H2,(H3,13,14) | ||||||
InChIK : FKVNASFBJSUXAI-UHFFFAOYSA-N | ||||||
CanonicalSyTyLFy : 3b839ba3cb65afc | ||||||
TotalMolweight : 216.307 | ||||||
Molweight : 216.307 | ||||||
MonoisotopicMass : 216.072118 | ||||||
CLogP : 2.1109 | ||||||
CLogS : -2.967 | ||||||
H Acceptors : 2 | ||||||
H Donors : 2 | ||||||
TotalSurfaceArea : 171.55 | ||||||
Relative PSA : 0.29863 | ||||||
PolarSurfaceArea : 78.11 | ||||||
Druglikeness : 1.2052 | ||||||
Mutagenic : none | ||||||
Tumorigenic : none | ||||||
Reproductive Effective : none | ||||||
Irritant : none | ||||||
Nasty Functions : | ||||||
Shape Index : 0.66667 | ||||||
Molecula Flexibility : 0.49624 | ||||||
Molecular Complexity : 0.63126 | ||||||
Fragments : 1 | ||||||
Non HAtoms : 15 | ||||||
NonCHAtoms : 3 | ||||||
Electronegative Atoms : 3 | ||||||
Rotatable Bond : 3 | ||||||
Rings Closures : 2 | ||||||
Small Rings : 2 | ||||||
Aromatic Rings : 2 | ||||||
Aromatic Atoms : 11 | ||||||
Sp3Atoms : 1 | ||||||
Symmetricatoms : 2 | ||||||
BasicNitrogens : 1 | ||||||
StereoCon : | ||||||
Casrn : 62403-77-4 |
MolName : (5-Phenylthiophen-2-yl)ethanimidamide |
MolecularFormula : C12H12N2S |
Smiles : NC(Cc1ccc(-c2ccccc2)s1)=N |
InChI : InChI=1S/C12H12N2S/c13-12(14)8-10-6-7-11(15-10)9-4-2-1-3-5-9/h1-7H,8H2,(H3,13,14) |
InChIK : FKVNASFBJSUXAI-UHFFFAOYSA-N |
CanonicalSyTyLFy : 3b839ba3cb65afc |
TotalMolweight : 216.307 |
Molweight : 216.307 |
MonoisotopicMass : 216.072118 |
CLogP : 2.1109 |
CLogS : -2.967 |
H Acceptors : 2 |
H Donors : 2 |
TotalSurfaceArea : 171.55 |
Relative PSA : 0.29863 |
PolarSurfaceArea : 78.11 |
Druglikeness : 1.2052 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.66667 |
Molecula Flexibility : 0.49624 |
Molecular Complexity : 0.63126 |
Fragments : 1 |
Non HAtoms : 15 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 3 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
BasicNitrogens : 1 |
StereoCon : |
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
|---|---|---|---|---|---|---|
| 10002-06-9 | none | none | none | C10H8N3ClS | 237.714 | 2.0874 |
| 100005-01-4 | none | none | high | C8H21BrSSi2 | 285.397 | -52.815 |
| 100020-83-5 | none | none | low | C7H11O3B | 153.972 | -20.814 |
| 100-73-2 | high | none | none | C6H8O2 | 112.128 | -6.3422 |
| 100-07-2 | high | high | low | C8H7O2Cl | 170.595 | -10.49 |
| 100-92-5 | none | none | none | C11H17N | 163.263 | 1.1672 |
| 1000269-65-7 | none | none | none | C12H19N3 | 205.304 | 0.25629 |
| 1000339-13-8 | low | none | low | C7H10NO4ClS | 239.678 | -21.883 |
| 1000335-27-2 | none | none | none | C10H15N4OCl | 242.709 | 0.81574 |
| 100-58-3 | none | none | none | Br.C6H5Mg | 101.411 | -2.3575 |
| 1000339-27-4 | none | none | none | C14H8N3O3Br | 346.14 | -5.8142 |
| 10001-13-5 | none | none | high | C12H22N2O | 210.32 | 3.9217 |
| 100021-47-4 | none | none | none | C13H17N5O6 | 339.307 | -2.7249 |
| 100-19-6 | none | none | none | C8H7NO3 | 165.148 | -7.0365 |
| 100-40-3 | none | none | high | C8H12 | 108.183 | -9.1684 |
| 1000-82-4 | low | high | high | C2H6N2O2 | 90.0816 | 0.41759 |
| 100003-85-8 | high | high | none | C13H8N2OCl2S | 311.192 | 1.0858 |
| 1000339-22-9 | none | none | none | C8H5NO4F2 | 217.127 | -8.0943 |
| 100-99-2 | none | none | low | C12H27Al | 198.328 | -22.009 |
| 1000018-56-3 | none | none | none | C7H4N3O2Br | 242.032 | -0.39052 |
| 1000-63-1 | none | none | high | C8H18O | 130.23 | -19.78 |
| 100-63-0 | high | high | none | C6H8N2 | 108.144 | -4.3224 |
| 100-41-4 | high | high | high | C8H10 | 106.167 | -2.68 |
| 100021-81-6 | none | none | none | H3O4P.C20H42N2O | 326.566 | -22.282 |
| 10001-30-6 | none | none | none | C17H14O4 | 282.294 | -0.8408 |
| 1000339-31-0 | none | none | high | C12H16NCl | 209.719 | 0.65299 |
| 100-61-8 | high | none | none | C7H9N | 107.155 | -0.23765 |
| 100012-67-7 | high | high | high | C12H12O5 | 236.222 | -19.846 |
| 1000018-23-4 | none | none | none | C12H17N3O3 | 251.285 | 2.8124 |
| 1000-84-6 | none | none | high | C4H9NO | 87.1215 | -6.3779 |
| 1000018-07-4 | none | none | none | C14H13N3O | 239.277 | 1.9531 |
| 1000339-25-2 | none | none | none | C14H8N2OBrF | 319.133 | -1.9975 |
| 1000-87-9 | none | none | none | C7H12 | 96.1723 | -2.6557 |
| 1000017-93-5 | none | none | none | C8H5N2O2Cl | 196.593 | 2.9136 |
| 1000296-70-7 | none | none | none | C19H27NO7S3 | 477.621 | 3.1322 |
| 10003-69-7 | none | none | none | C10H14O8S4 | 390.477 | 0.2775 |
| 10000-42-7 | high | high | low | C20H18N4O3 | 362.388 | -5.7793 |
| 100-67-4 | none | none | none | K.C6H5O | 93.1047 | -2.2548 |
| 100-05-0 | none | none | none | Cl.C6H4N3O2 | 150.117 | -9.1371 |
| 100-09-4 | none | none | none | C8H8O3 | 152.149 | -1.597 |
| 100-46-9 | none | none | none | C7H9N | 107.155 | -2.0712 |
| 1000198-76-4 | none | none | none | C11H12NF3 | 215.217 | -5.8988 |
| 100021-85-0 | none | high | high | H3O4P.C16H32O2.C2H8N2 | 256.428 | -25.216 |
| 1000284-35-4 | none | none | high | C16H24O4 | 280.363 | -11.936 |
| 100031-92-3 | none | none | high | C10H30OSi4 | 278.691 | -53.619 |
| 100-90-3 | none | none | none | C14H16N4O3S | 320.372 | 4.7301 |
| 100021-46-3 | none | none | none | C9H11NO2 | 165.191 | -3.1955 |
| 1000339-33-2 | none | none | none | C10H11NClF | 199.655 | 0.76 |
| 100-22-1 | high | high | none | C10H16N2 | 164.251 | 0.40939 |
| 1000018-24-5 | none | none | none | C12H18N4O3 | 266.3 | -0.33651 |
| 1000018-71-2 | none | none | high | C14H19N3O4 | 293.322 | -2.5213 |
| 10002-37-6 | none | none | none | C9H16N2O | 168.239 | -3.8085 |
| 1000018-13-2 | none | none | none | C11H14NO2Br | 272.141 | -5.4951 |
| 100004-94-2 | none | none | none | C13H11NO2 | 213.235 | -1.5864 |
| 100-79-8 | none | low | none | C6H12O3 | 132.158 | -9.8672 |
| 1000-23-3 | high | high | low | C4H6O4Cl2Sn | 307.704 | -8.6766 |
| 1000018-58-5 | none | none | none | C6H4NBr2Cl | 285.366 | -3.6 |
| 1000-46-0 | none | none | none | C7H18Ge | 174.83 | -4.6976 |
| 100027-27-8 | none | none | none | CH3I.C20H24N2 | 292.425 | 3.4994 |
| 100033-28-1 | low | none | high | C6H9N7 | 179.186 | -2.3035 |