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172412-76-9 | Thiazole-2-sulfonic acid
CAS No: 172412-76-9 Catalog No: AG00ACD1 MDL No:MFCD18837124
Product Description
Catalog Number:
AG00ACD1
Chemical Name:
Thiazole-2-sulfonic acid
CAS Number:
172412-76-9
Molecular Formula:
C3H3NO3S2
Molecular Weight:
165.1908
MDL Number:
MFCD18837124
IUPAC Name:
1,3-thiazole-2-sulfonic acid
InChI:
InChI=1S/C3H3NO3S2/c5-9(6,7)3-4-1-2-8-3/h1-2H,(H,5,6,7)
InChI Key:
NAYGOLGTZZLECJ-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1nccs1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.955g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.181g/mol
Monoisotopic Mass:
164.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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