(2,2,4,4-Tetramethylthietan-3-ylidene)hydrazine

CAS Number: 89050-85-1
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CC1(C)SC(C)(C)C1=NN
Molecule Information
Mutagenic: high Tumorigenic: low Irritant: none
Formula
C7H14N2S
Molecular Weight
158.268
Drug-likeness
0.33808
CAS
89050-85-1
InChI key
MHXPAWLBUVXHEW-UHFFFAOYSA-N
SMILES
CC1(C)SC(C)(C)C1=NN
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
low
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 89050-85-1
Molecule Name (2,2,4,4-Tetramethylthietan-3-ylidene)hydrazine
Molecular Formula C7H14N2S
SMILES CC1(C)SC(C)(C)C1=NN
InChI InChI=1S/C7H14N2S/c1-6(2)5(9-8)7(3,4)10-6/h8H2,1-4H3
InChI Key MHXPAWLBUVXHEW-UHFFFAOYSA-N
CanonicalSyTyLFy 1940c5aa3e914c00
TotalMolweight 158.268
Molecular Weight 158.268
MonoisotopicMass 158.087768
CLogP 2.3362
CLogS -2.268
H Acceptors 2
H Donors 1
TotalSurfaceArea 118.84
Relative PSA 0.37252
PolarSurfaceArea 63.68
Drug-likeness 0.33808
Mutagenic high
Tumorigenic low
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecular Complexity 0.67346
Fragments 1
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Symmetricatoms 4

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