AG00ECMI

64038-64-8 | 4-Ethoxycarbonylimidazole-2-thiol

AG00ECMI

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CAS Number	64038-64-8
Catalog Number	AG00ECMI(AGN-PC-0KK7R2)
Chemical Name	4-Ethoxycarbonylimidazole-2-thiol
IUPAC Name	ethyl 2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
InChI	InChI=1S/C6H8N2O2S/c1-2-10-5(9)4-3-7-6(11)8-4/h3H,2H2,1H3,(H2,7,8,11)
InChI Key	PONOGPICUOALRU-UHFFFAOYSA-N
MDL Number	MFCD00068042
Molecular Formula	C6H8N2O2S
Molecular Weight	172.2049
SMILES	O=C(C1=CNC(S)=N1)OCC
Synonyms	64038-64-8, ethyl 2-mercapto-1h-imidazole-4-carboxylate, 4-Ethoxycarbonylimidazole-2-thiol, USAF EL-63, Imidazole-2-thiol, 5-ethoxycarbonyl-, 2-Mercapto-5-carbethoxyimidazole, Imidazole, 2-mercapto-5-carbethoxy-, PONOGPICUOALRU-UHFFFAOYSA-N, 2-mercapto-1h-imidazole-4-carboxylic acid ethyl ester, ethyl 2-mercaptoimidazole-4-carboxylate, Ethyl 2-sulfanyl-1H-imidazole-4-carboxylate, Maybridge1_005066, AC1MC5D3, SCHEMBL269623, CTK5C0522, CTK6F7063, HMS555O06, DTXSID10214070, 1H-Imidazole-4-carboxylicacid,2,3-dihydro-2-thioxo-,ethylester, KS-00003KB0, ZINC4243066, ZX-AT009265, 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-2-thioxo-, ethyl ester, CCG-50585, FCH917547, MFCD00068042, OR6163, SBB088664, AKOS006227566, AKOS024388179, 4-Ethoxycarbonyl-1H-imidazole-2-thiol, FS-1109, MCULE-9522331327, RP02728, ethyl 2-sulfanylimidazole-4-carboxylate, ethyl 2-sulfanylimidazole-5-carboxylate, ethyl 2-mercapto-4-imidazole carboxylate, ethyl 2-thio-1h-imidazole-4-carboxylate, AJ-49534, AK126102, LS-78919, SC-69454, AB0001913, AX8021977, ethyl-2-mercapto-1H-imidazole-4-carboxylate, FT-0625962, ST24046869, ST51041508, Y9698, A19011, Ethyl 2-sulfanyl-1H-imidazole-4-carboxylate #, C-53916, ETHYL 2-MERCAPTO-1H-IMIDAZOLE-5-CARBOXYLATE, J-520766, SR-01000639950-1, 2-mercapto-3H-imidazole-4-carboxylic acid ethyl ester, I14-55570, 2-mercapto-1 H-imidazole-4-carboxylic acid ethyl ester, ethyl 2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate, ethyl 2-thioxo-2,3-dihydro-1H-imidazole-5-carboxylate, ethyl 2-sulfanylidene-2,3-dihydro-1H-imidazole-4-carboxylate, 1H-Imidazole-4-carboxylicacid, 2,3-dihydro-2-thioxo-, ethyl ester, 2,3-Dihydro-2-thioxo-1H-imidazole-4-carboxylic acid, ethyl ester, 2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid ethyl ester, C6H8N2O2S, C6-H8-N2-O2-S, ZINC04243066, CID2736338,

Complexity	225
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	2
Isotope Atom Count	0
Molecular Weight	172.202g/mol
Monoisotopic Mass	172.031g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	82.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Siginal words

Certificate of Analysis

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