Home Carboxys 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylic acid

3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylic acid

CAS No.:
871217-45-7
Catalog Number:
AG00IED6
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
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Product Description
Catalog Number:
AG00IED6
Chemical Name:
3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylic acid
CAS Number:
871217-45-7
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD07348567
IUPAC Name:
3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylic acid
InChI:
InChI=1S/C6H8N2O2S/c1-3-4(6(9)10)5(7-2)11-8-3/h7H,1-2H3,(H,9,10)
InChI Key:
CWFUERSVWFQTQD-UHFFFAOYSA-N
SMILES:
CNc1snc(c1C(=O)O)C
Properties
Complexity:
165  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties