AG00C7DM

39736-29-3 | ETHYL 4-AMINO-2-(METHYLTHIO)-1,3-THIAZOLE-5-CARBOXYLATE

AG00C7DM

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CAS Number	39736-29-3
Catalog Number	AG00C7DM(AGN-PC-0JPZGC)
Chemical Name	ETHYL 4-AMINO-2-(METHYLTHIO)-1,3-THIAZOLE-5-CARBOXYLATE
IUPAC Name	ethyl 4-amino-2-methylsulfanyl-1,3-thiazole-5-carboxylate
InChI	InChI=1S/C7H10N2O2S2/c1-3-11-6(10)4-5(8)9-7(12-2)13-4/h3,8H2,1-2H3
InChI Key	WAFDSQXKSGGKCD-UHFFFAOYSA-N
MDL Number	MFCD01830310
Molecular Formula	C7H10N2O2S2
Molecular Weight	218.2965
NSC Number	675697
SMILES	O=C(C1=C(N)N=C(SC)S1)OCC
Synonyms	39736-29-3, Ethyl 4-amino-2-(methylthio)thiazole-5-carboxylate, Ethyl 4-amino-2-(methylthio)-1,3-thiazole-5-carboxylate, ethyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate, Ethyl 4-amino-2-methylthiothiazole-5-carboxylate, NSC675697, ethyl 4-amino-2-methylthio-1,3-thiazole-5-carboxylate, MFCD01830310, AC1L8OGI, AC1Q64OE, TimTec1_001416, MLS000877944, SCHEMBL2701506, CHEMBL1569826, CTK4I1812, ZINC43484, DTXSID80327666, WAFDSQXKSGGKCD-UHFFFAOYSA-N, HMS1538A08, HMS2683N06, AC1Q3335, CS-D0868, KS-00003HU0, CCG-50204, HTS001020, SBB001485, AKOS000117722, BS-4271, MCULE-8857112548, NSC-675697, QC-5045, RP05083, NCGC00174453-01, AJ-09007, AK138863, DA-19320, SC-88546, SMR000376909, ST020608, ZB001339, AB0041268, FT-0702439, Y8994, EN300-11112, C-1362, A824716, AI-067/31570045, SR-01000572726, J-520964, SR-01000572726-1, SR-01000572726-2, Ethyl 4-amino-2-(methylthio)-1,3-thiazole-5-carbox, ethyl 4-amino-2-(methylthio)-thiazole-5-carboxylate, ethyl 4-amino-2-methylsulfanyl-thiazole-5-carboxylate, Z57033914, ethyl 4-amino-2-methylsulfanyl-1,3-thiazole-5-carboxylate, ethyl 4-azanyl-2-methylsulfanyl-1,3-thiazole-5-carboxylate, 2-(Methylthio)-4-aminothiazole-5-carboxylic acid ethyl ester, 4-amino-2-(methylthio)-5-thiazolecarboxylic acid ethyl ester, 4-amino-2-methylsulfanylthiazole-5-carboxylic acid ethyl ester, 5-Thiazolecarboxylicacid, 4-amino-2-(methylthio)-, ethyl ester, C7H10N2O2S2, AR-1I9182, CID384908, ETHYL 2-(METHYLTHIO)-4-NITROTHIAZOLE-5-CARBOXYLATE, ethyl 4-amino-2-(methylthio)thiazole-5-carboxylate, 95% - 1G 1g, 40056-76-6,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.018g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.289g/mol
Monoisotopic Mass	218.018g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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