[(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene

C16H16S2 — CID 5382499

IUPAC[(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene
SMILESC(=C/SCc1ccccc1)\SCc1ccccc1
InChIInChI=1S/C16H16S2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+
InChIKeyRZVCNFNSLCXUMM-VAWYXSNFSA-N
MW272.44 g/mol
LogP5.32
Rot. Bonds6

About [(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene

[(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene (PubChem CID 5382499) has the molecular formula C16H16S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is [(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene.

Molecular Properties

Compound Name[(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene
PubChem CID5382499
Molecular FormulaC16H16S2
Molecular Weight272.44 g/mol
Exact Mass272.07
IUPAC Name[(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene
SMILESC(=C/SCc1ccccc1)\SCc1ccccc1
InChIInChI=1S/C16H16S2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+
InChIKeyRZVCNFNSLCXUMM-VAWYXSNFSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenzyl Disulfide
CID 9012
Benzyl Thiocyanate
CID 18170
Dibenzyl sulfide
CID 10867
Benzyl sulfoxide
CID 12116
Benzyl methyl disulfide
CID 12779
Benzyl methyl sulfide
CID 13016
Trisulfide, bis(phenylmethyl)
CID 122842
1,6-Diphenylhexatriene
CID 5376733
[(E)-4-phenylbut-2-enyl]benzene
CID 5370638
Petivericin
CID 10244468
Dibenzyl sulfone
CID 69282
1,7-Diphenyl-1,3,5-heptratriene
CID 44560845

Frequently Asked Questions

What is the IUPAC name of [(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene?
The IUPAC name of [(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene (CID 5382499) is [(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene.
What is the SMILES notation for [(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene?
The canonical SMILES for [(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene is C(=C/SCc1ccccc1)\SCc1ccccc1.
What is the InChIKey of [(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene?
The InChIKey is RZVCNFNSLCXUMM-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H16S2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+.
What are the key properties of [(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene?
[(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene has a molecular weight of 272.44 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene is sourced from PubChem (CID 5382499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).