[(Z)-2-benzylsulfanylhex-1-enyl]benzene

C19H22S — CID 14952221

IUPAC[(Z)-2-benzylsulfanylhex-1-enyl]benzene
SMILESCCCC/C(=C/c1ccccc1)SCc1ccccc1
InChIInChI=1S/C19H22S/c1-2-3-14-19(15-17-10-6-4-7-11-17)20-16-18-12-8-5-9-13-18/h4-13,15H,2-3,14,16H2,1H3/b19-15-
InChIKeyKGQJOKSYZPVKBH-CYVLTUHYSA-N
MW282.45 g/mol
LogP6.15
Rot. Bonds7

About [(Z)-2-benzylsulfanylhex-1-enyl]benzene

[(Z)-2-benzylsulfanylhex-1-enyl]benzene (PubChem CID 14952221) has the molecular formula C19H22S and a molecular weight of 282.45 g/mol. Its IUPAC name is [(Z)-2-benzylsulfanylhex-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-2-benzylsulfanylhex-1-enyl]benzene
PubChem CID14952221
Molecular FormulaC19H22S
Molecular Weight282.45 g/mol
Exact Mass282.14
IUPAC Name[(Z)-2-benzylsulfanylhex-1-enyl]benzene
SMILESCCCC/C(=C/c1ccccc1)SCc1ccccc1
InChIInChI=1S/C19H22S/c1-2-3-14-19(15-17-10-6-4-7-11-17)20-16-18-12-8-5-9-13-18/h4-13,15H,2-3,14,16H2,1H3/b19-15-
InChIKeyKGQJOKSYZPVKBH-CYVLTUHYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.45
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-benzylsulfanylhex-1-enyl]benzene?
The IUPAC name of [(Z)-2-benzylsulfanylhex-1-enyl]benzene (CID 14952221) is [(Z)-2-benzylsulfanylhex-1-enyl]benzene.
What is the SMILES notation for [(Z)-2-benzylsulfanylhex-1-enyl]benzene?
The canonical SMILES for [(Z)-2-benzylsulfanylhex-1-enyl]benzene is CCCC/C(=C/c1ccccc1)SCc1ccccc1.
What is the InChIKey of [(Z)-2-benzylsulfanylhex-1-enyl]benzene?
The InChIKey is KGQJOKSYZPVKBH-CYVLTUHYSA-N. The full InChI is InChI=1S/C19H22S/c1-2-3-14-19(15-17-10-6-4-7-11-17)20-16-18-12-8-5-9-13-18/h4-13,15H,2-3,14,16H2,1H3/b19-15-.
What are the key properties of [(Z)-2-benzylsulfanylhex-1-enyl]benzene?
[(Z)-2-benzylsulfanylhex-1-enyl]benzene has a molecular weight of 282.45 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-benzylsulfanylhex-1-enyl]benzene is sourced from PubChem (CID 14952221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).