Home Other Building Blocks 4-(Phenylthio)benzoic acid

4-(Phenylthio)benzoic acid

CAS No.:
6310-24-3
Catalog Number:
AG00ELIJ
Molecular Formula:
C13H10O2S
Molecular Weight:
230.2823
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 92% (HPLC)
1 week
United States
$219
- +
250mg
95%
1 week
United States
$313
- +
1g
95%
1 week
United States
$725
- +
Product Description
Catalog Number:
AG00ELIJ
Chemical Name:
4-(Phenylthio)benzoic acid
CAS Number:
6310-24-3
Molecular Formula:
C13H10O2S
Molecular Weight:
230.2823
MDL Number:
MFCD00496602
IUPAC Name:
4-phenylsulfanylbenzoic acid
InChI:
InChI=1S/C13H10O2S/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)
InChI Key:
WRZVDYSYXLKRNN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Sc1ccccc1
NSC Number:
43054
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.04g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.281g/mol
Monoisotopic Mass:
230.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties