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18212-21-0 | 1,2,3-Thiadiazole-5-carboxylic acid, 4-methyl-
CAS No: 18212-21-0 Catalog No: AG0023DN MDL No:MFCD00173830
Product Description
Catalog Number:
AG0023DN
Chemical Name:
1,2,3-Thiadiazole-5-carboxylic acid, 4-methyl-
CAS Number:
18212-21-0
Molecular Formula:
C4H4N2O2S
Molecular Weight:
144.1518
MDL Number:
MFCD00173830
IUPAC Name:
4-methylthiadiazole-5-carboxylic acid
InChI:
InChI=1S/C4H4N2O2S/c1-2-3(4(7)8)9-6-5-2/h1H3,(H,7,8)
InChI Key:
NHHQOYLPBUYHQU-UHFFFAOYSA-N
SMILES:
OC(=O)c1snnc1C
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.999g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.148g/mol
Monoisotopic Mass:
143.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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