Sulfanylethanimidamide--hydrogen chloride (1/1)

CAS Number: 19412-52-3
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NC(CS)=N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C2H6N2S
Molecular Weight
90.1496
Drug-likeness
-5.4511
CAS
19412-52-3
InChI key
KUMNVTIEIZMRFS-UHFFFAOYSA-N
SMILES
NC(CS)=N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 19412-52-3
Molecule Name Sulfanylethanimidamide--hydrogen chloride (1/1)
Molecular Formula HCl.C2H6N2S
SMILES NC(CS)=N.Cl
InChI InChI=1S/C2H6N2S.ClH/c3-2(4)1-5;/h5H,1H2,(H3,3,4);1H
InChI Key KUMNVTIEIZMRFS-UHFFFAOYSA-N
CanonicalSyTyLFy ce9da3f527a59be9
TotalMolweight 126.611
Molecular Weight 90.1496
MonoisotopicMass 90.025168
CLogP -1.1631
CLogS -0.372
H Acceptors 2
H Donors 2
TotalSurfaceArea 71.95
Relative PSA 0.74329
PolarSurfaceArea 88.67
Drug-likeness -5.4511
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.8
Molecula Flexibility 0.61655
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 5
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Sp3Atoms 2
BasicNitrogens 1

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