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14659-10-0 | 3H-1,2-Dithiole-3-thione, 5-(phenylmethyl)-
CAS No: 14659-10-0 Catalog No: AG001E6F MDL No:
Product Description
Catalog Number:
AG001E6F
Chemical Name:
3H-1,2-Dithiole-3-thione, 5-(phenylmethyl)-
CAS Number:
14659-10-0
Molecular Formula:
C10H8S3
Molecular Weight:
224.3655
IUPAC Name:
5-benzyldithiole-3-thione
InChI:
InChI=1S/C10H8S3/c11-10-7-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChI Key:
RUPDPZHZCQWOCM-UHFFFAOYSA-N
SMILES:
S=c1ssc(c1)Cc1ccccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.354g/mol
Monoisotopic Mass:
223.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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