2-Hydrazinyl-4,5-dimethyl-1,3-thiazole--hydrogen chloride (1/1)

CAS Number: 124285-37-6
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Cc1c(C)sc(NN)n1.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C5H9N3S
Molecular Weight
143.213
Drug-likeness
-4.0975
CAS
124285-37-6
InChI key
FMKWFIFHNPWDLE-UHFFFAOYSA-N
SMILES
Cc1c(C)sc(NN)n1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 124285-37-6
Molecule Name 2-Hydrazinyl-4,5-dimethyl-1,3-thiazole--hydrogen chloride (1/1)
Molecular Formula HCl.C5H9N3S
SMILES Cc1c(C)sc(NN)n1.Cl
InChI InChI=1S/C5H9N3S.ClH/c1-3-4(2)9-5(7-3)8-6;/h6H2,1-2H3,(H,7,8);1H
InChI Key FMKWFIFHNPWDLE-UHFFFAOYSA-N
CanonicalSyTyLFy bc80ad11a3e07047
TotalMolweight 179.674
Molecular Weight 143.213
MonoisotopicMass 143.051717
CLogP 2.0714
CLogS -1.965
H Acceptors 3
H Donors 2
TotalSurfaceArea 112.46
Relative PSA 0.51627
PolarSurfaceArea 79.18
Drug-likeness -4.0975
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.66667
Molecula Flexibility 0.029809
Molecular Complexity 0.79451
Fragments 2
Non HAtoms 9
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 5
Sp3Atoms 3
Aromatic Nitrogens 1
BasicNitrogens 1

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