[(Z)-2-benzylsulfanylethenyl]sulfanylmethylbenzene

C16H16S2 — CID 5462932

IUPAC[(Z)-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-QXMHVHEDSA-N
MW272.44 g/mol
LogP5.32
Rot. Bonds6

About [(Z)-2-benzylsulfanylethenyl]sulfanylmethylbenzene

[(Z)-2-benzylsulfanylethenyl]sulfanylmethylbenzene (PubChem CID 5462932) has the molecular formula C16H16S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is [(Z)-2-benzylsulfanylethenyl]sulfanylmethylbenzene.

Molecular Properties

Compound Name[(Z)-2-benzylsulfanylethenyl]sulfanylmethylbenzene
PubChem CID5462932
Molecular FormulaC16H16S2
Molecular Weight272.44 g/mol
Exact Mass272.07
IUPAC Name[(Z)-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-QXMHVHEDSA-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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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-benzylsulfanylethenyl]sulfanylmethylbenzene?
The IUPAC name of [(Z)-2-benzylsulfanylethenyl]sulfanylmethylbenzene (CID 5462932) is [(Z)-2-benzylsulfanylethenyl]sulfanylmethylbenzene.
What is the SMILES notation for [(Z)-2-benzylsulfanylethenyl]sulfanylmethylbenzene?
The canonical SMILES for [(Z)-2-benzylsulfanylethenyl]sulfanylmethylbenzene is C(=C\SCc1ccccc1)\SCc1ccccc1.
What is the InChIKey of [(Z)-2-benzylsulfanylethenyl]sulfanylmethylbenzene?
The InChIKey is RZVCNFNSLCXUMM-QXMHVHEDSA-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 [(Z)-2-benzylsulfanylethenyl]sulfanylmethylbenzene?
[(Z)-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 [(Z)-2-benzylsulfanylethenyl]sulfanylmethylbenzene is sourced from PubChem (CID 5462932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).