AG001P01

15679-12-6 | Thiazole, 2-ethyl-4-methyl-

AG001P01

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CAS Number	15679-12-6
Catalog Number	AG001P01(AGN-PC-0JKJFT)
Chemical Name	Thiazole, 2-ethyl-4-methyl-
EC Number	239-757-9
FEMA Number	3680
IUPAC Name	2-ethyl-4-methyl-1,3-thiazole
InChI	InChI=1S/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3
InChI Key	VGRVKVGGUPOCMT-UHFFFAOYSA-N
MDL Number	MFCD00036621
Molecular Formula	C6H9NS
Molecular Weight	127.2074
SMILES	CC1=CSC(CC)=N1
UNII	LVC1ZV6X4U
Synonyms	2-ETHYL-4-METHYLTHIAZOLE, 15679-12-6, 2-Ethyl-4-methyl thiazole, Thiazole, 2-ethyl-4-methyl-, 2-Ethyl-4-methyl-1,3-thiazole, UNII-LVC1ZV6X4U, 4-Methyl-2-ethylthiazole, LVC1ZV6X4U, 2-ethyl-4-methyl-thiazole, VGRVKVGGUPOCMT-UHFFFAOYSA-N, MFCD00036621, FEMA No. 3680, EINECS 239-757-9, PubChem9939, ACMC-1BUW7, KSC494I1R, SCHEMBL129956, AC1L1D81, DTXSID6065923, CTK3J4418, FEMA 3680, KS-00000EYB, 2-Ethyl-4-methylthiazole, 98%, ZINC396075, 2-ETHYL-4- METHYLTHIAZOLE, 7859AA, ANW-21650, AKOS015897435, DS-6428, MCULE-3079802855, TRA0079355, 2-Ethyl-4-methylthiazole, >=98%, FG, AJ-21584, AK114234, AN-18581, BP-10598, CJ-03698, ZB012604, AB1005962, DB-021040, RT-002005, E0456, FT-0612252, ST24032461, ST51038333, A809772, I09-0077, I14-1076, Q-100185, InChI=1/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H, null, C6H9NS, Tiazol, 2-etil-4-metil-, 2-Ethyl-4,5-dimethylthiazole, C6-H9-N-S, CID27440, ZINC00396075, 2-Ethyl-4-methylthiazole, 99% - 1G 1g, 873-64-3,

Complexity	74.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.046g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	127.205g/mol
Monoisotopic Mass	127.046g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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