1,8-Octanedithiol

Formula:C8H18S2 CAS:1191-62-4 ChemrytIQ

PropertyValue
Casrn1191-62-4
MolName1,8-Octanedithiol
MolecularFormulaC8H18S2
SmilesSCCCCCCCCS
InChIInChI=1S/C8H18S2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
InChIKPGTWZHXOSWQKCY-UHFFFAOYSA-N
CanonicalSyTyLFyf81de354e29262a7
TotalMolweight178.363
Molweight178.363
MonoisotopicMass178.08499
CLogP3.5692
CLogS-3.918
TotalSurfaceArea155.3
Relative PSA0.29118
PolarSurfaceArea77.6
Druglikeness-17.325
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index1
Molecula Flexibility0.52867
Molecular Complexity0.44794
Fragments1
Non HAtoms10
NonCHAtoms2
Electronegative Atoms2
Rotatable Bond7
Sp3Atoms10
Symmetricatoms5
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
10001-08-8nonenonehighC11H22N2O198.309-3.1037 ChemrytIQ
1000303-67-2nonenonenoneC6H8N2O124.1432.717 ChemrytIQ
100005-68-3nonenonenoneC13H12O4232.234-4.9451 ChemrytIQ
1000339-30-9nonenonenoneC8H10N3Cl183.6412.1 ChemrytIQ
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216 ChemrytIQ
1000-16-4nonenonenoneC13H30NO3P279.359-34.244 ChemrytIQ
100021-05-4nonenonenoneC21H28O2312.4510.95307 ChemrytIQ
100002-29-7nonenonenoneC12H18N2O3238.2862.8956 ChemrytIQ
100-94-7nonenonenoneCl.C16H20N226.342-1.9788 ChemrytIQ
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197 ChemrytIQ
100-26-5nonenonenoneC7H5NO4167.12-1.5746 ChemrytIQ
100-38-9nonenonehighC6H15NS133.2580.17671 ChemrytIQ
1000269-68-0nonenonenoneC14H24N4248.3730.99367 ChemrytIQ
1000279-69-5nonenonenoneC20H19N2O3ClS402.9015.7907 ChemrytIQ
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575 ChemrytIQ
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943 ChemrytIQ
100-64-1highhighnoneC6H11NO113.159-6.4182 ChemrytIQ
100-66-3highnonehighC7H8O108.14-2.0846 ChemrytIQ
100010-02-4nonenonenoneC14H23NO221.343-6.1109 ChemrytIQ
100017-22-9highhighhighC5H8O2100.117-8.1063 ChemrytIQ
100-55-0nonenonenoneC6H7NO109.128-1.9045 ChemrytIQ
100-01-6nonenonenoneC6H6N2O2138.126-7.2389 ChemrytIQ
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179 ChemrytIQ
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213 ChemrytIQ
1000-84-6nonenonehighC4H9NO87.1215-6.3779 ChemrytIQ
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981 ChemrytIQ
1000-87-9nonenonenoneC7H1296.1723-2.6557 ChemrytIQ
100-41-4highhighhighC8H10106.167-2.68 ChemrytIQ
100-28-7highlowlowC7H4N2O3164.12-21.552 ChemrytIQ
10-00-4nonenonenoneC28H34O8498.57-4.8409 ChemrytIQ
100033-28-1lownonehighC6H9N7179.186-2.3035 ChemrytIQ
1000-91-5nonenonehighC5H14OSi118.251-35.679 ChemrytIQ
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895 ChemrytIQ
100-92-5nonenonenoneC11H17N163.2631.1672 ChemrytIQ
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815 ChemrytIQ
10003-42-6nonenonenoneC11H11NO4221.211-4.7046 ChemrytIQ
100-73-2highnonenoneC6H8O2112.128-6.3422 ChemrytIQ
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756 ChemrytIQ
1000018-70-1nonenonenoneC15H18N2O6322.316-6.5762 ChemrytIQ
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78 ChemrytIQ
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545 ChemrytIQ
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653 ChemrytIQ
100003-81-4highhighnoneC8H7N2OClS214.6761.4208 ChemrytIQ
1000284-53-6nonenonehighC18H36O2284.482-15.583 ChemrytIQ
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137 ChemrytIQ
100-61-8highnonenoneC7H9N107.155-0.23765 ChemrytIQ
100-45-8nonenonehighC7H9N107.155-10.018 ChemrytIQ
100004-80-6nonenonenoneC13H11NO3229.234-1.3547 ChemrytIQ
100-11-8lowhighnoneC7H6NO2Br216.034-13.162 ChemrytIQ
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825 ChemrytIQ
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218 ChemrytIQ
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322 ChemrytIQ
1000018-39-2highhighlowC13H20N2O2S268.381.9315 ChemrytIQ
100031-92-3nonenonehighC10H30OSi4278.691-53.619 ChemrytIQ
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
100004-54-4nonehighnoneC4H8Te183.708-3.9699 ChemrytIQ
1000-83-5lowhighhighC2H6N2OS106.149-2.264 ChemrytIQ
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249 ChemrytIQ
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766 ChemrytIQ
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075 ChemrytIQ