AG005NNR

68892-07-9 | Methyl 1-methyl-2-mercapto-1H-imidazole-5-carboxylate

AG005NNR

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CAS Number	68892-07-9
Catalog Number	AG005NNR(AGN-PC-0TTZF3)
Chemical Name	Methyl 1-methyl-2-mercapto-1H-imidazole-5-carboxylate
EC Number	272-595-7
IUPAC Name	methyl 3-methyl-2-sulfanylidene-1H-imidazole-4-carboxylate
InChI	InChI=1S/C6H8N2O2S/c1-8-4(5(9)10-2)3-7-6(8)11/h3H,1-2H3,(H,7,11)
InChI Key	MXRBCICJILKUCS-UHFFFAOYSA-N
MDL Number	MFCD00206762
Molecular Formula	C6H8N2O2S
Molecular Weight	172.2049
NSC Number	313360
SMILES	O=C(C1=CN=C(S)N1C)OC
Synonyms	68892-07-9, Methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate, Methyl 1-methyl-2-sulfanyl-1H-imidazole-5-carboxylate, 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester, 2-Mercapto-1-methylimidazole-5-carboxylic acid methyl ester, METHYL 1-METHYL-2-MERCAPTO-1H-IMIDAZOLE-5-CARBOXYLATE, 2-MERCAPTO-3-METHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER, EINECS 272-595-7, NSC313360, AC1ME3VQ, Maybridge4_002452, ACMC-1BGT2, SCHEMBL6344541, SCHEMBL9560023, DTXSID3071806, CTK5C8598, KS-00000GJZ, HMS1527P10, Methyl 2,3-dihydro-3-methyl-2-thioxo-1H-imidazole-4-carboxylate, ZX-AT021478, ANW-35562, FCH918926, KM1228, MFCD00206762, SBB088663, ZINC17120318, AKOS004903086, AB04779, AC-9345, AN-7109, FCH1438222, MCULE-1383854333, NSC-313360, OR18399, RP02729, AK206517, CJ-15736, TZ000667, TR-022956, CS-0035773, FT-0628459, Y9826, 4H-021, methyl 1-methyl-2-sulfanylimidazole-5-carboxylate, methyl 3-methyl-2-sulfanylimidazole-4-carboxylate, J-522032, BRD-K72749295-001-01-2, I14-27123, methyl 3-methyl-2-thioxo-1H-imidazole-4-carboxylate, methyl 3-methyl-2-sulfanylidene-1H-imidazole-4-carboxylate, METHYL 1-METHYL-2-MERCAPTO-1H-5-IMIDAZOLECARBOXYLATE, 1H-Imidazole-4-carboxylic acid,3-dihydro-3-methyl-2-thioxo-, methyl ester, 2,3-Dihydro-3-methyl-2-thioxo-1H-imidazole-4-carboxylic acid methyl ester, 1H-Imidazole-4-carboxylicacid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester, C6H8N2O2S, C6-H8-N2-O2-S, CID2821214, METHYL1-METHYL-2-SULFANYL-1H-IMIDAZOLE-5-CARBOXYLATE,

Complexity	237
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	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.202g/mol
Monoisotopic Mass	172.031g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	73.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

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

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