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13224-86-7 | Benzoic acid, 2,6-bis(phenylthio)-
CAS No: 13224-86-7 Catalog No: AG0010F4 MDL No:
Product Description
Catalog Number:
AG0010F4
Chemical Name:
Benzoic acid, 2,6-bis(phenylthio)-
CAS Number:
13224-86-7
Molecular Formula:
C19H14O2S2
Molecular Weight:
338.4433
IUPAC Name:
2,6-bis(phenylsulfanyl)benzoic acid
InChI:
InChI=1S/C19H14O2S2/c20-19(21)18-16(22-14-8-3-1-4-9-14)12-7-13-17(18)23-15-10-5-2-6-11-15/h1-13H,(H,20,21)
InChI Key:
GYTLFXNSVIMCLS-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(cccc1Sc1ccccc1)Sc1ccccc1
NSC Number:
156505
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.044g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.439g/mol
Monoisotopic Mass:
338.044g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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