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30463-18-4 | Thieno[3,2-c]pyridine-3-sulfonic acid, 4-methyl-
CAS No: 30463-18-4 Catalog No: AG00306P MDL No:
Product Description
Catalog Number:
AG00306P
Chemical Name:
Thieno[3,2-c]pyridine-3-sulfonic acid, 4-methyl-
CAS Number:
30463-18-4
Molecular Formula:
C8H7NO3S2
Molecular Weight:
229.2761
IUPAC Name:
4-methylthieno[3,2-c]pyridine-3-sulfonic acid
InChI:
InChI=1S/C8H7NO3S2/c1-5-8-6(2-3-9-5)13-4-7(8)14(10,11)12/h2-4H,1H3,(H,10,11,12)
InChI Key:
YERWDDJTYYPUNH-UHFFFAOYSA-N
SMILES:
Cc1nccc2c1c(cs2)S(=O)(=O)O
NSC Number:
128841
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.987g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.268g/mol
Monoisotopic Mass:
228.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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