200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88382-49-4
88382-49-4 | Benzoic acid,4-[(phenylthio)methyl]-
CAS No: 88382-49-4 Catalog No: AG004FR5 MDL No:MFCD03991405
Product Description
Catalog Number:
AG004FR5
Chemical Name:
Benzoic acid,4-[(phenylthio)methyl]-
CAS Number:
88382-49-4
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
MDL Number:
MFCD03991405
IUPAC Name:
4-(phenylsulfanylmethyl)benzoic acid
InChI:
InChI=1S/C14H12O2S/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2,(H,15,16)
InChI Key:
PPCGTVWKHISHFJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CSc1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.308g/mol
Monoisotopic Mass:
244.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.