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114389-49-0 | 5-Thiazolesulfonic acid, 4-methyl-
CAS No: 114389-49-0 Catalog No: AG000B7Q MDL No:
Product Description
Catalog Number:
AG000B7Q
Chemical Name:
5-Thiazolesulfonic acid, 4-methyl-
CAS Number:
114389-49-0
Molecular Formula:
C4H5NO3S2
Molecular Weight:
179.2174
IUPAC Name:
4-methyl-1,3-thiazole-5-sulfonic acid
InChI:
InChI=1S/C4H5NO3S2/c1-3-4(9-2-5-3)10(6,7)8/h2H,1H3,(H,6,7,8)
InChI Key:
YVXSKCDVTVDXGL-UHFFFAOYSA-N
SMILES:
Cc1ncsc1S(=O)(=O)O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.971g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.208g/mol
Monoisotopic Mass:
178.971g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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