Home Other Building Blocks 2-methyl-3-(phenylsulfanyl)propanoic acid

2-methyl-3-(phenylsulfanyl)propanoic acid

CAS No.:
775-20-2
Catalog Number:
AG01AHB7
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AHB7
Chemical Name:
2-methyl-3-(phenylsulfanyl)propanoic acid
CAS Number:
775-20-2
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD12132651
IUPAC Name:
2-methyl-3-phenylsulfanylpropanoic acid
InChI:
InChI=1S/C10H12O2S/c1-8(10(11)12)7-13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
InChI Key:
UFPQPCFCVBHXFQ-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CSc1ccccc1
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:
2.5  
Properties