AG00ECQG

6127-18-0 | 2-CYANO-N-(4-METHYLPHENYL)ETHANETHIOAMIDE

AG00ECQG

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CAS Number	6127-18-0
Catalog Number	AG00ECQG(AGN-PC-03G0FO)
Chemical Name	2-CYANO-N-(4-METHYLPHENYL)ETHANETHIOAMIDE
IUPAC Name	4-bromo-2-methyl-1H-indole
InChI	InChI=1S/C9H8BrN/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-5,11H,1H3
InChI Key	MXRPXKYWAYTGJY-UHFFFAOYSA-N
MDL Number	MFCD18380829
Molecular Formula	C9H8BrN
Molecular Weight	210.0705
SMILES	CC(N1)=CC2=C1C=CC=C2Br
Synonyms	4-BROMO-2-METHYL-1H-INDOLE, 6127-18-0, 4-Bromo-2-methylindole, SCHEMBL598649, 2-Methyl-4-bromo-1H-indole, CTK8B5503, KS-00000OER, 1H-Indole, 4-bromo-2-methyl-, DTXSID20618343, MXRPXKYWAYTGJY-UHFFFAOYSA-N, ANW-48965, MFCD18380829, ZINC72482090, AKOS015920311, CB-4038, CS-W005700, FS-3427, SB14903, AK-67965, BR-67965, CJ-21707, SC-69933, SY029702, AB0025814, AJ-121157, TC-137710, 4CH-003483, FT-0716917, ST24028948, W7354, MFCD18380829 (95%), S-6863, C9H8BrN, 2-cyano-N-(4-methylphenyl)ethanethioamide, ACN-048592, 887144-97-0,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.074g/mol
Monoisotopic Mass	208.984g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	15.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number