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15112-40-0 | 1,3-Dithiole, 4-phenyl-
CAS No: 15112-40-0 Catalog No: AG001N46 MDL No:
Product Description
Catalog Number:
AG001N46
Chemical Name:
1,3-Dithiole, 4-phenyl-
CAS Number:
15112-40-0
Molecular Formula:
C9H8S2
Molecular Weight:
180.2898
IUPAC Name:
4-phenyl-1,3-dithiole
InChI:
InChI=1S/C9H8S2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-6H,7H2
InChI Key:
WEEWCEPQHUKCDY-UHFFFAOYSA-N
SMILES:
C1SC=C(S1)c1ccccc1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.007g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.283g/mol
Monoisotopic Mass:
180.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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