AG003JO6

64559-06-4 | 3-Methoxybenzothioamide

AG003JO6

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CAS Number	64559-06-4
Catalog Number	AG003JO6(AGN-PC-0KBOOE)
Chemical Name	3-Methoxybenzothioamide
IUPAC Name	3-methoxybenzenecarbothioamide
InChI	InChI=1S/C8H9NOS/c1-10-7-4-2-3-6(5-7)8(9)11/h2-5H,1H3,(H2,9,11)
InChI Key	LQSZSWBMLMGWPC-UHFFFAOYSA-N
MDL Number	MFCD04627361
Molecular Formula	C8H9NOS
Molecular Weight	167.2282
SMILES	S=C(C1=CC=CC(OC)=C1)N
Synonyms	3-Methoxythiobenzamide, 64559-06-4, 3-methoxybenzothioamide, 3-Methoxybenzenecarbothioamide, 3-methoxy-thiobenzamide, Benzenecarbothioamide,3-methoxy-, LQSZSWBMLMGWPC-UHFFFAOYSA-N, MFCD04627361, amino(3-methoxyphenyl)methane-1-thione, ACMC-20an1d, AC1M11GH, 3-Methoxythiobenzamide, 97%, CHEMBL456569, SCHEMBL2888543, 3-Methoxybenzenecarbothioamide #, CTK5C1404, DTXSID80366191, ZINC2533930, 1389AH, SBB016506, STL220442, AKOS000203397, AB20844, MCULE-4884009501, 3-METHOXYBENZENE-1-CARBOTHIOAMIDE, AS-44304, DB-073512, TC-169528, FT-0692206, ST45244250, A834810, C8H9NOS, ZINC02533930, CID2060838, Benzenecarbothioamide, 3-methoxy- (9CI),

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.04g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.226g/mol
Monoisotopic Mass	167.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	67.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number