2-Thiazolamine, 4-methyl-, monohydrochloride

CAS Number: 6142-15-0
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Cc1csc(N)n1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C4H6N2S
Molecular Weight
114.172
Drug-likeness
1.3775
CAS
6142-15-0
InChI key
WUMMJVLSXMYDRW-UHFFFAOYSA-N
SMILES
Cc1csc(N)n1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 6142-15-0
Molecule Name 2-Thiazolamine, 4-methyl-, monohydrochloride
Molecular Formula HCl.C4H6N2S
SMILES Cc1csc(N)n1.Cl
InChI InChI=1S/C4H6N2S.ClH/c1-3-2-7-4(5)6-3;/h2H,1H3,(H2,5,6);1H
InChI Key WUMMJVLSXMYDRW-UHFFFAOYSA-N
CanonicalSyTyLFy bc5f36e7dbf7312d
TotalMolweight 150.633
Molecular Weight 114.172
MonoisotopicMass 114.025168
CLogP 1.0055
CLogS -1.793
H Acceptors 2
H Donors 1
TotalSurfaceArea 88.74
Relative PSA 0.52513
PolarSurfaceArea 67.15
Drug-likeness 1.3775
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecular Complexity 0.7993
Fragments 2
Non HAtoms 7
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 5
Sp3Atoms 1
Aromatic Nitrogens 1
BasicNitrogens 1

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