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2314-54-7 | Carbonotrithioic acid, diphenyl ester
CAS No: 2314-54-7 Catalog No: AG002MC8 MDL No:
Product Description
Catalog Number:
AG002MC8
Chemical Name:
Carbonotrithioic acid, diphenyl ester
CAS Number:
2314-54-7
Molecular Formula:
C13H10S3
Molecular Weight:
262.4135
IUPAC Name:
bis(phenylsulfanyl)methanethione
InChI:
InChI=1S/C13H10S3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H
InChI Key:
UHXNHMBEGXLRMF-UHFFFAOYSA-N
SMILES:
S=C(Sc1ccccc1)Sc1ccccc1
NSC Number:
157932
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.994g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.403g/mol
Monoisotopic Mass:
261.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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