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930395-77-0 | 2-[(1,3-thiazol-4-ylmethyl)sulfanyl]benzoic acid
CAS No: 930395-77-0 Catalog No: AG019KLT MDL No:MFCD09373419
Product Description
Catalog Number:
AG019KLT
Chemical Name:
2-[(1,3-thiazol-4-ylmethyl)sulfanyl]benzoic acid
CAS Number:
930395-77-0
Molecular Formula:
C11H9NO2S2
Molecular Weight:
251.3247
MDL Number:
MFCD09373419
IUPAC Name:
2-(1,3-thiazol-4-ylmethylsulfanyl)benzoic acid
InChI:
InChI=1S/C11H9NO2S2/c13-11(14)9-3-1-2-4-10(9)16-6-8-5-15-7-12-8/h1-5,7H,6H2,(H,13,14)
InChI Key:
HSRAXHLVOYBBFL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1SCc1cscn1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.318g/mol
Monoisotopic Mass:
251.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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