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756856-66-3 | Benzenecarbodithioic acid, 4-hydroxy-, phenylmethyl ester
CAS No: 756856-66-3 Catalog No: AG005IUM MDL No:
Product Description
Catalog Number:
AG005IUM
Chemical Name:
Benzenecarbodithioic acid, 4-hydroxy-, phenylmethyl ester
CAS Number:
756856-66-3
Molecular Formula:
C14H12OS2
Molecular Weight:
260.3745
IUPAC Name:
benzyl 4-hydroxybenzenecarbodithioate
InChI:
InChI=1S/C14H12OS2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2
InChI Key:
HURQLJVJBGBZPE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(=S)SCc1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.033g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.369g/mol
Monoisotopic Mass:
260.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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