Home Other Building Blocks 1699-03-2
1699-03-2,MFCD00089444
Catalog No.:AA003HT6
1699-03-2 | 2-Phenylthiomethylbenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
1 week  
$218.00   $152.00
- +
25g
1 week  
$672.00   $470.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HT6
Chemical Name:
2-Phenylthiomethylbenzoic acid
CAS Number:
1699-03-2
Molecular Formula:
C14H12O2S
Molecular Weight:
244.3089
MDL Number:
MFCD00089444
IUPAC Name:
2-(phenylsulfanylmethyl)benzoic acid
InChI:
InChI=1S/C14H12O2S/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)
InChI Key:
QXPRAGVOCILNHG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1CSc1ccccc1
EC Number:
216-922-3
Properties
Computed Properties
 
Complexity:
249  
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  

Synonyms
 
1699-03-2 
2-((Phenylthio)methyl)benzoic acid 
AC1L2LOY 
AC1Q5TGV 
ACMC-1BS3Y 
2-PhenylthiomethylbenzoicAcid 
o-phenylthiomethylbenzoic acid 
SCHEMBL1931922 
2-Phenylmercaptomethylbenzoic Acid 
QXPRAGVOCILNHG-UHFFFAOYSA-N 
KS-000014TV 
ZINC2575238 
2-Phenylthiomethylbenzoic Acid 
ANW-22423 
MFCD00089444 
SBB003192 
AKOS000190784 
Benzoic acid,2-[(phenylthio)methyl]- 
ACM1699032 
MCULE-2538001686 
MS-2280 
VZ34806 
2-(phenylmercapto-methyl) -benzoic acid 
2-(phenylthiomethyl)benzoic acid 
TC-111168 
FT-0768289 
P1360 
ST50331240 
C-55650 
SR-01000308537 
SR-01000308537-1 
I14-108599 
C14H12O2S 
CID74337 
2-[(Phenylthio)methyl]benzoic acid 
AR-1H9115 
C14-H12-O2-S 
Benzoic acid, 2-((phenylthio)methyl)- 
1730-48-9 
AE-641/25069039 
2-(phenylsulfanylmethyl)benzoic acid 
2-[(phenylsulfanyl)methyl]benzoic acid 
EINECS 216-922-3 
benzoic acid, 2-[(phenylthio)methyl]- 
Literature

Title: Synthesis and Antimicrobial Evaluation of Dibenzo[b,e]oxepin-11(6H)-one O-Benzoyloxime Derivatives.

Journal: Scientia pharmaceutica 20110101

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A