AG0060LF

72835-25-7 | 5-Methylthiophene-2-carbonitrile

AG0060LF

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CAS Number	72835-25-7
Catalog Number	AG0060LF(AGN-PC-0JOTVS)
Chemical Name	5-Methylthiophene-2-carbonitrile
IUPAC Name	5-methylthiophene-2-carbonitrile
InChI	InChI=1S/C6H5NS/c1-5-2-3-6(4-7)8-5/h2-3H,1H3
InChI Key	RBQRZWYCXAXPIN-UHFFFAOYSA-N
MDL Number	MFCD01434334
Molecular Formula	C6H5NS
Molecular Weight	123.1756
NSC Number	223386
SMILES	N#CC1=CC=C(C)S1
Synonyms	5-methylthiophene-2-carbonitrile, 72835-25-7, 2-Thiophenecarbonitrile, 5-methyl-, 5-methyl-2-thiophenecarbonitrile, 2-CYANO-5-METHYLTHIOPHENE, 2-Thiophenecarbonitrile,5-methyl-, 5-Methylthiophene-2-carbonitrile, 97%, NSC223386, AC1L7LYD, SCHEMBL131100, CTK5D6917, DTXSID30310260, 5-methyl-thiophene-2-carbonitrile, RBQRZWYCXAXPIN-UHFFFAOYSA-N, KS-000003VU, ZINC1756772, 1306AC, GEO-01953, MFCD01434334, AKOS004120165, CM-1614, DS-5869, NSC-223386, PB12235, RL04772, AJ-31499, AK128470, SC-69277, DB-074632, 4CH-003927, CS-0050425, FT-0715204, M2959, Q-1090, I09-3614, J-517836, Z2284431858, C6H5NS, CID312733,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	123.014g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	123.173g/mol
Monoisotopic Mass	123.014g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332
Packing Group	Ⅲ
Precautionary statements	P280
UN Code	UN 3276

Certificate of Analysis

Lot Number