AG0023DO

18212-20-9 | 1,​2,​3-​Thiadiazole-​5-​carboxylic acid, 4-​methyl-​, ethyl ester

AG0023DO

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CAS Number	18212-20-9
Catalog Number	AG0023DO(AGN-PC-0KKMTT)
Chemical Name	1,​2,​3-​Thiadiazole-​5-​carboxylic acid, 4-​methyl-​, ethyl ester
IUPAC Name	ethyl 4-methylthiadiazole-5-carboxylate
InChI	InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-4(2)7-8-11-5/h3H2,1-2H3
InChI Key	AHPXTXGCMLOXGA-UHFFFAOYSA-N
MDL Number	MFCD00052549
Molecular Formula	C6H8N2O2S
Molecular Weight	172.2049
SMILES	C(=O)(OCC)c1c(C)nns1
Synonyms	Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate, 18212-20-9, MFCD00052549, ethyl 4-methylthiadiazole-5-carboxylate, 1,2,3-Thiadiazole-5-carboxylic acid, 4-methyl-, ethyl ester, 4-methyl-1,2,3-thiadiazole-5-carboxylic acid ethyl ester, ACMC-209xfp, AC1MBZ4V, ethylmethylthiadiazolecarboxylate, SCHEMBL2211256, 4-methyl-1,2,3-thiadiazole-5-carboxylic acid ethylester, CTK3J6949, DTXSID80374539, ZINC159323, ACT08384, ALBB-009847, ANW-47603, SBB050113, STK506103, AKOS005069211, ACN-028021, MCULE-9484107984, RP10561, RTC-020535, VZ32149, KS-000018Y7, 10J-523S, AJ-15488, BR-49516, SC-65840, SY078770, ZB007229, AB0002140, AB1010242, ST2406956, TC-020535, CS-0045358, FT-0626095, ST50406905, W3951, MFCD00052549 (97%), A26562, S-2712, 5-(Ethoxycarbonyl)-4-methyl-1,2,3-thiadiazole, 4-methyl-5-thiadiazolecarboxylic acid ethyl ester, A812653, I09-0285, J-011656, J-521039, Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate, 97%, 4-methyl-[1,2,3]thiadiazole-5-carboxylic acid ethyl ester, 1,2,3-thiadiazole-5-carboxylic acid, 4-methyl-, ethyl ester;1,2,3-thiadiazole-5-carboxylic acid, 4-methyl-, ethyl este;Ethyl 4-Methyl-1,2,3-Thiadiazolet-5-Carboxylate, C6H8N2O2S, ZINC00159323, CID2758878,

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	1.4

GHS Hazard and Precautionary Statements

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

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