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71341-82-7 | (1,3,3-TRIS(PHENYLTHIO)-2-PROPENYL)BENZENE
CAS No: 71341-82-7 Catalog No: AG005JPT MDL No:
Product Description
Catalog Number:
AG005JPT
Chemical Name:
(1,3,3-TRIS(PHENYLTHIO)-2-PROPENYL)BENZENE
CAS Number:
71341-82-7
Molecular Formula:
C27H22S3
Molecular Weight:
442.6586
IUPAC Name:
[3-phenyl-1,3-bis(phenylsulfanyl)prop-1-enyl]sulfanylbenzene
InChI:
InChI=1S/C27H22S3/c1-5-13-22(14-6-1)26(28-23-15-7-2-8-16-23)21-27(29-24-17-9-3-10-18-24)30-25-19-11-4-12-20-25/h1-21,26H
InChI Key:
MRGBBEYTMXDJGP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)SC(=CC(c1ccccc1)Sc1ccccc1)Sc1ccccc1
NSC Number:
310533
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.088g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.653g/mol
Monoisotopic Mass:
442.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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