AG00D8FL

4623-55-6 | 2-Amino-3-cyano-5-methylthiophene

AG00D8FL

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CAS Number	4623-55-6
Catalog Number	AG00D8FL(AGN-PC-0JNYIP)
Chemical Name	2-Amino-3-cyano-5-methylthiophene
IUPAC Name	2-amino-4-methylthiophene-3-carbonitrile
InChI	InChI=1S/C6H6N2S/c1-4-3-9-6(8)5(4)2-7/h3H,8H2,1H3
InChI Key	VVLPOLLOKMOHOP-UHFFFAOYSA-N
MDL Number	MFCD00277568
Molecular Formula	C6H6N2S
Molecular Weight	138.1902
NSC Number	99325
SMILES	N#CC1=C(N)SC=C1C
Synonyms	2-amino-4-methylthiophene-3-carbonitrile, 4623-55-6, 2-Amino-3-cyano-4-methylthiophene, 2-amino-4-methyl-3-thiophenecarbonitrile, 3-Thiophenecarbonitrile, 2-amino-4-methyl-, NSC99325, AC1L6BJK, AC1Q4R9K, NCIOpen2_002047, SCHEMBL1820046, CTK7C6680, VVLPOLLOKMOHOP-UHFFFAOYSA-N, HMS1662N07, ZINC240825, KS-000010IB, MFCD00277568, NSC-99325, SBB086028, STL352281, AKOS000149504, AB05902, MCULE-7231775230, PS-3059, QC-6100, AC-28870, AM803934, CS-0038888, K-9067, AA-516/30012034, Z2092370977, 2-Amino-3-cyano-5-methylthiophene, AR-1D8381, CID264281, 47109-05-7,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.025g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	138.188g/mol
Monoisotopic Mass	138.025g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	78A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2811

Certificate of Analysis

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