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Home > Thiazole > 1851193-68-4
1851193-68-4 | 2-methoxy-1,3-thiazole-5-sulfinic acid
CAS No: 1851193-68-4 Catalog No: AG01C83V MDL No:
Product Description
Catalog Number:
AG01C83V
Chemical Name:
2-methoxy-1,3-thiazole-5-sulfinic acid
CAS Number:
1851193-68-4
Molecular Formula:
C4H5NO3S2
Molecular Weight:
179.2174
IUPAC Name:
2-methoxy-1,3-thiazole-5-sulfinic acid
InChI:
InChI=1S/C4H5NO3S2/c1-8-4-5-2-3(9-4)10(6)7/h2H,1H3,(H,6,7)
InChI Key:
KKDAGYRBZVHTER-UHFFFAOYSA-N
SMILES:
COc1ncc(s1)S(=O)O
Properties
Complexity:
143
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:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.208g/mol
Monoisotopic Mass:
178.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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