AG003K81

4946-22-9 | 4-(Dimethylamino)thiophenol

AG003K81

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CAS Number	4946-22-9
Catalog Number	AG003K81(AGN-PC-0JKFNV)
Chemical Name	4-(Dimethylamino)thiophenol
IUPAC Name	4-(dimethylamino)benzenethiol
InChI	InChI=1S/C8H11NS/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3
InChI Key	PQSBRHXGVPVYFJ-UHFFFAOYSA-N
MDL Number	MFCD01658123
Molecular Formula	C8H11NS
Molecular Weight	153.2446
SMILES	SC1=CC=C(N(C)C)C=C1
Synonyms	4-(Dimethylamino)thiophenol, 4-(dimethylamino)benzenethiol, 4946-22-9, p-Dimethylaminobenzenethiol, Benzenethiol, p-(dimethylamino)-, 4-Dimethylaminobenzenethiol, USAF PD-101, Benzenethiol, 4-(dimethylamino)-, 4-dimethylaminothiophenol, BRN 1635423, ACMC-1AMLF, AC1L2HJL, 4-dimethylamino-benzenethiol, 4-13-00-01308 (Beilstein Handbook Reference), SCHEMBL543678, 4-(dimethylamino)-benzenethiol, 4-Mercapto-N,N-dimethylaniline, Benzenethiol,4-(dimethylamino)-, CTK6H9775, DTXSID30197795, PQSBRHXGVPVYFJ-UHFFFAOYSA-N, ANW-30773, ZINC31623425, AKOS006344529, FS-5298, VZ27904, 4-(dimethylamino)thiophenol, AldrichCPR, LS-32190, SC-21413, TX-016846, D4047, FT-0694680, AIDS020147, C8-H11-N-S, CID21061,

Complexity	95.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.061g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.243g/mol
Monoisotopic Mass	153.061g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	4.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
UN Code

Certificate of Analysis

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