Home Sulfos 4-Thiazolecarboxylic acid, 5-(aminosulfonyl)-, methyl ester

4-Thiazolecarboxylic acid, 5-(aminosulfonyl)-, methyl ester

CAS No.:
89502-04-5
Catalog Number:
AG0087QR
Molecular Formula:
C5H6N2O4S2
Molecular Weight:
222.2421
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Product Description
Catalog Number:
AG0087QR
Chemical Name:
4-Thiazolecarboxylic acid, 5-(aminosulfonyl)-, methyl ester
CAS Number:
89502-04-5
Molecular Formula:
C5H6N2O4S2
Molecular Weight:
222.2421
MDL Number:
MFCD25371651
IUPAC Name:
methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C5H6N2O4S2/c1-11-4(8)3-5(12-2-7-3)13(6,9)10/h2H,1H3,(H2,6,9,10)
InChI Key:
BPLOHXUVMDRKPV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncsc1S(=O)(=O)N
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.977g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.233g/mol
Monoisotopic Mass:
221.977g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties