AG00028G

100516-98-1 | 2-Thiazolecarbonitrile, 4-methyl-

AG00028G

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CAS Number	100516-98-1
Catalog Number	AG00028G(AGN-PC-00UQVO)
Chemical Name	2-Thiazolecarbonitrile, 4-methyl-
IUPAC Name	4-methyl-1,3-thiazole-2-carbonitrile
InChI	InChI=1S/C5H4N2S/c1-4-3-8-5(2-6)7-4/h3H,1H3
InChI Key	ZLJOKRUAKFPDRN-UHFFFAOYSA-N
MDL Number	MFCD08276856
Molecular Formula	C5H4N2S
Molecular Weight	124.1637
SMILES	N#CC1=NC(C)=CS1
Synonyms	4-Methylthiazole-2-carbonitrile, 100516-98-1, 4-METHYL-1,3-THIAZOLE-2-CARBONITRILE, 2-Thiazolecarbonitrile, 4-methyl-, 4-METHYL-2-THIAZOLECARBONITRILE, 2-Thiazolecarbonitrile,4-methyl-, ACMC-20e8j3, SCHEMBL128311, CTK3J9035, 4-methyl-thiazole-2-carbonitrile, DTXSID10584785, ZLJOKRUAKFPDRN-UHFFFAOYSA-N, 0220AA, MFCD08276856, ZINC43681906, AKOS016009427, 4-Methylthiazole-2-carbonitrile, 97%, MCULE-3702297635, PB10548, QC-6185, TRA0073596, AS-50562, AB0096535, AJ-108733, RT-020490, FT-0724194, Q-1887, J-000154, Z1675167158, C5H4N2S,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.01g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	124.161g/mol
Monoisotopic Mass	124.01g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	64.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number