AG00G87B

76162-56-6 | 3-Methyl-[1,2,4]thiadiazole-5-carboxylic acid ethyl ester

AG00G87B

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CAS Number	76162-56-6
Catalog Number	AG00G87B(AGN-PC-00GIYJ)
Chemical Name	3-Methyl-[1,2,4]thiadiazole-5-carboxylic acid ethyl ester
IUPAC Name	ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate
InChI	InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-7-4(2)8-11-5/h3H2,1-2H3
InChI Key	ZYVYMUYJEAVYOC-UHFFFAOYSA-N
MDL Number	MFCD22201205
Molecular Formula	C6H8N2O2S
Molecular Weight	172.2049
SMILES	O=C(C1=NC(C)=NS1)OCC
Synonyms	Ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate, 76162-56-6, 3-Methyl-[1,2,4]thiadiazole-5-carboxylic acid ethyl ester, 1,2,4-Thiadiazole-5-carboxylic acid, 3-methyl-, ethyl ester, 4068AJ, MFCD22201205, ZINC36448135, AKOS024262521, MCULE-9427202097, AJ-92880, CS-0042201, FT-0699630, Z-7308, 3-Methyl-1,2,4thiadiazole-5-carboxylic acid ethyl ester, F9995-1829, 3-Methyl-[1,2,4thiadiazole-5-carboxylic acid ethyl ester, C6H8N2O2S, CID11805210,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.031g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.202g/mol
Monoisotopic Mass	172.031g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	80.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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