200,000+ products from a single source!
sales@angenechem.com
2899-66-3 | Propanoic acid, 3-[(phenylmethyl)thio]-
CAS No: 2899-66-3 Catalog No: AG002V4U MDL No:MFCD00020521
Product Description
Catalog Number:
AG002V4U
Chemical Name:
Propanoic acid, 3-[(phenylmethyl)thio]-
CAS Number:
2899-66-3
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD00020521
IUPAC Name:
3-benzylsulfanylpropanoic acid
InChI:
InChI=1S/C10H12O2S/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)
InChI Key:
NDBNSZKHDMXOJE-UHFFFAOYSA-N
SMILES:
OC(=O)CCSCc1ccccc1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.264g/mol
Monoisotopic Mass:
196.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.