C1=CC(=C(C=C1Cl)N)S
CAS: 1004-00-8
Name: 2-amino-4-chlorobenzenethiol
SMILES: C1=CC(=C(C=C1Cl)N)S

Molecular Processing

Molecular formula
C6H6ClNS
Molecular weight
159.64
Exact mass
158.9909
XLogP
2.21
TPSA
26.02
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
43.12

Supplementary Information

InChIKey: NGIRMPARLVGMPX-UHFFFAOYSA-N
Synonyme
2-Amino-4-chlorobenzenethiol1004-00-8DTXSID00143244RefChem:85193DTXCID40657352-Amino-4-chlorothiophenolBenzenethiol, 2-amino-4-chloro-2-amino-4-chlorobenzene-1-thiol2-amino-4-chloro-benzenethiolMFCD007925282-Amino-4-chlorobenzenethiol (>85%)NSC69575-Chloro-2-mercaptoaniline4-Chloro-2-aminothiophenol4-Chloro-2-aminobenzenethiol4-chloro-o-aminothiophenol2-Amino-4-chloro thiophenol5-Chloro-2-mercaptoaniline-SCHEMBL485284Aniline, 5-chloro-2-mercapto-SCHEMBL29592739STR075142-Amino-4-chlorophenyl hydrosulfide2-Amino-4-chlorobenzenethiol, 96%SBB066509AKOS000298976CS-W016174PS-3202SB76303AC-11158
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