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121561-08-8 | Ethanethione, 2-[(2-mercapto-2-phenylethenyl)thio]-1-phenyl-
CAS No: 121561-08-8 Catalog No: AG00159P MDL No:
Product Description
Catalog Number:
AG00159P
Chemical Name:
Ethanethione, 2-[(2-mercapto-2-phenylethenyl)thio]-1-phenyl-
CAS Number:
121561-08-8
Molecular Formula:
C16H14S3
Molecular Weight:
302.4774
IUPAC Name:
1-phenyl-2-(2-phenyl-2-sulfanylethenyl)sulfanylethanethione
InChI:
InChI=1S/C16H14S3/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h1-11,17H,12H2
InChI Key:
ABWVUWDUTZPWTK-UHFFFAOYSA-N
SMILES:
S=C(c1ccccc1)CSC=C(c1ccccc1)S
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.026g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.468g/mol
Monoisotopic Mass:
302.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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