AG003JS3

55406-13-8 | 3-METHYLTHIOPHENE-2-CARBONITRILE

AG003JS3

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CAS Number	55406-13-8
Catalog Number	AG003JS3(AGN-PC-0JSA4L)
Chemical Name	3-METHYLTHIOPHENE-2-CARBONITRILE
IUPAC Name	3-methylthiophene-2-carbonitrile
InChI	InChI=1S/C6H5NS/c1-5-2-3-8-6(5)4-7/h2-3H,1H3
InChI Key	ALZHYEITUZEZMT-UHFFFAOYSA-N
MDL Number	MFCD00052086
Molecular Formula	C6H5NS
Molecular Weight	123.1756
SMILES	N#CC1=C(C)C=CS1
Synonyms	3-Methylthiophene-2-carbonitrile, 55406-13-8, 3-Methyl-2-thiophenecarbonitrile, 2-Cyano-3-methylthiophene, ALZHYEITUZEZMT-UHFFFAOYSA-N, MFCD00052086, ACMC-1AXOT, AC1LAVU2, SCHEMBL480051, CTK3J4088, DTXSID60334696, 3-methyl-thiophene-2-carbonitrile, 3-Methyl-2-thiophenecarbonitrile #, KS-00003SS4, ZINC2510165, ANW-32308, BBL102536, GEO-02888, SBB055764, STL556339, AKOS005207045, QC-6017, RL04083, RTR-019535, VT20244, AJ-36396, TS-01634, AB0061570, DB-052723, TR-019535, FT-0616187, ST24042362, V6586, K-9895, A830628, I09-2143, J-512936, Z2130657872, C6H5NS, CID521617, ZINC02510165,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

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