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30433-83-1 | Thieno[3,2-c]pyridine-3-sulfonic acid, 4,6-dimethyl-
CAS No: 30433-83-1 Catalog No: AG003042 MDL No:
Product Description
Catalog Number:
AG003042
Chemical Name:
Thieno[3,2-c]pyridine-3-sulfonic acid, 4,6-dimethyl-
CAS Number:
30433-83-1
Molecular Formula:
C9H9NO3S2
Molecular Weight:
243.3027
IUPAC Name:
4,6-dimethylthieno[3,2-c]pyridine-3-sulfonic acid
InChI:
InChI=1S/C9H9NO3S2/c1-5-3-7-9(6(2)10-5)8(4-14-7)15(11,12)13/h3-4H,1-2H3,(H,11,12,13)
InChI Key:
YCXYVUFTVNAMJJ-UHFFFAOYSA-N
SMILES:
Cc1nc(C)c2c(c1)scc2S(=O)(=O)O
NSC Number:
128842
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.002g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.295g/mol
Monoisotopic Mass:
243.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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