4- (Dimethylamino) benzenethiol

CAT: 0926-FD62966-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FD62966-01Size:100 mg

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CAS Number

4946-22-9

Synonyms

4- (Dimethylamino) thiophenol;4-Mercapto-N, N-dimethylaniline

MDL Number

MFCD01658123

Smiles

CN (C) C1=CC=C (C=C1) S

Molecular Formula

C8H11NS

Molecular Weight

153.25 g/mol

Controlled

Chemical Information

4-(Dimethylamino)benzene-1-thiol

CAS Number	4946-22-9
PubChem CID	21061
IUPAC Name	4-(dimethylamino)benzenethiol
Molecular Formula	C8H11NS
Molecular Weight	153.25
XLogP	2.6
Topological Polar Surface Area	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	95

SMILES

CN(C)C1=CC=C(C=C1)S

InChI

InChI=1S/C8H11NS/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3

InChIKey

PQSBRHXGVPVYFJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4946-22-9

CID: 21061

Formula: C8H11NS

MW: 153.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.25
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	153.06122053
Monoisotopic Mass	153.06122053
Topological Polar Surface Area	4.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	95.4
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
FN84821-01	2-Nitro-4- (trifluoromethyl) benzenethiol
IYB07510-01	4-Bromo-2- (trifluoromethyl) benzenethiol
GEB76048-01	2-Amino-4- (methylsulfonyl) benzenethiol
PAA39552-01	4-Bromo-3-methyl-benzenethiol
VDA68276-01	[ (4-Bromophenyl) (dimethylamino) phosphanyl]dimethylamine
FD69798-01	4-Dimethylamino-4'-methylchalcone
FD62437	4-Dimethylamino-4'-nitrostilbene
FD22312-01	4-Dimethylamino antipyrine
LDA41554-01	4- (Dimethylamino) butanethioamide
FD29087-01	4- (Dimethylamino) benzaldehyde

Catalog	Name
OR1026432-01	4- (Dimethylamino) Benzenethiol
TRC-B680385-500MG	2-Bromo-benzenethiol
RG-E141164-01	2- (Hydroxyamino) benzenethiol
RG-E141140-01	2- (Methylamino) benzenethiol
TRC-C989250-5G	4-Cyclohexyl-benzenethiol
430300-01	4-Amino-benzenethiol
418030-01	2-Fluoro-benzenethiol
RG-E140999-01	Benzenethiol controlled substance
OR90917	4- (Methylamino) benzenethiol
JH920441	Benzenethiol, 2- (diphenylphosphinyl) -