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930395-78-1 | 4-[(1,3-thiazol-4-ylmethyl)sulfanyl]benzoic acid
CAS No: 930395-78-1 Catalog No: AG019KLV MDL No:MFCD09373418
Product Description
Catalog Number:
AG019KLV
Chemical Name:
4-[(1,3-thiazol-4-ylmethyl)sulfanyl]benzoic acid
CAS Number:
930395-78-1
Molecular Formula:
C11H9NO2S2
Molecular Weight:
251.3247
MDL Number:
MFCD09373418
IUPAC Name:
4-(1,3-thiazol-4-ylmethylsulfanyl)benzoic acid
InChI:
InChI=1S/C11H9NO2S2/c13-11(14)8-1-3-10(4-2-8)16-6-9-5-15-7-12-9/h1-5,7H,6H2,(H,13,14)
InChI Key:
FSDWCUKDFDYRLH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)SCc1cscn1
Properties
Complexity:
242
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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