200,000+ products from a single source!
sales@angenechem.com
115395-14-7 | Butanoic acid, 3-(phenylthio)-, (3R)-
CAS No: 115395-14-7 Catalog No: AG000FWX MDL No:
Product Description
Catalog Number:
AG000FWX
Chemical Name:
Butanoic acid, 3-(phenylthio)-, (3R)-
CAS Number:
115395-14-7
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
IUPAC Name:
3-phenylsulfanylbutanoic acid
InChI:
InChI=1S/C10H12O2S/c1-8(7-10(11)12)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
InChI Key:
RRJPZQISWROTFP-UHFFFAOYSA-N
SMILES:
C[C@@H](Sc1ccccc1)CC(=O)O
Properties
Complexity:
164
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:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.