4-Aminothiophenol

CAT: 0926-FA02055-01Size: 0.025 kgDry Ice: NoHazardous: No

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CAT#:0926-FA02055-01Size:0.025 kg

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CAS Number

1193-02-8

Synonyms

4-Aminobenzenethiol;4-Aminophenyl mercaptan;4-Mercaptoaniline

MDL Number

MFCD00007880

Smiles

C1=CC (=CC=C1N) S

Molecular Weight

125.19 g/mol

Controlled

Chemical Information

4-Aminothiophenol

RN given refers to parent cpd

CAS Number	1193-02-8
PubChem CID	14510
IUPAC Name	4-aminobenzenethiol
Molecular Formula	C6H7NS
Molecular Weight	125.19
XLogP	1.3
Topological Polar Surface Area	27
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	66

SMILES

C1=CC(=CC=C1N)S

InChI

InChI=1S/C6H7NS/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2

InChIKey

WCDSVWRUXWCYFN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1193-02-8

CID: 14510

Formula: C6H7NS

MW: 125.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	125.19
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	125.02992040
Monoisotopic Mass	125.02992040
Topological Polar Surface Area	27 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FA07685-01	2-Aminothiophenol
SAA51080-01	4-Aminothiophene-2-sulfonamide
JGB12487-01	4-Aminothiophene-2-carboxamide
THC27950-01	4-tert-Butyl 2-ethyl 5-aminothiophene-2,4-dicarboxylate
FT77427	4,4,4-Trifluorovaline
AAA46134	4,4,4-Trifluorobutanamide
AAA40687	4,4,4-Trifluorobutanal
JXB85075-01	4,4,4-Trifluorobutanethioamide
FCA23456-01	4- (4-Methoxyphenyl) -4-oxobutanenitrile
FT47010-01	4,4',4''-Trimethoxytrityl chloride

Catalog	Name
OR0772-01	4-Aminothiophenol
901015	4‐AMINOTHIOPHENOL
A29100	4-Aminothiophenol 97%
OR1999-01	2-Aminothiophenol
501005	2‐AMINOTHIOPHENOL
RG-E141041-01	3-Aminothiophenol
TRC-A630425-50G	2-Aminothiophenol 90%
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol