3-benzylsulfanylprop-1-enylbenzene

C16H16S — CID 71388292

IUPAC3-benzylsulfanylprop-1-enylbenzene
SMILESC(=Cc1ccccc1)CSCc1ccccc1
InChIInChI=1S/C16H16S/c1-3-8-15(9-4-1)12-7-13-17-14-16-10-5-2-6-11-16/h1-12H,13-14H2
InChIKeyZCWGQVMUFLRTTQ-UHFFFAOYSA-N
MW240.37 g/mol
LogP4.63
Rot. Bonds5

About 3-benzylsulfanylprop-1-enylbenzene

3-benzylsulfanylprop-1-enylbenzene (PubChem CID 71388292) has the molecular formula C16H16S and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-benzylsulfanylprop-1-enylbenzene.

Molecular Properties

Compound Name3-benzylsulfanylprop-1-enylbenzene
PubChem CID71388292
Molecular FormulaC16H16S
Molecular Weight240.37 g/mol
Exact Mass240.10
IUPAC Name3-benzylsulfanylprop-1-enylbenzene
SMILESC(=Cc1ccccc1)CSCc1ccccc1
InChIInChI=1S/C16H16S/c1-3-8-15(9-4-1)12-7-13-17-14-16-10-5-2-6-11-16/h1-12H,13-14H2
InChIKeyZCWGQVMUFLRTTQ-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-phenylprop-2-enylsulfanylmethyl)phenol
CID 67683497
[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 5370626
[(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene
CID 15189428
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
2-[(E)-3-phenylprop-2-enyl]sulfanylacetic acid
CID 23172742
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
3-(disulfanyl)prop-1-enylbenzene
CID 173164677
[(E)-3-but-3-enylsulfanylprop-1-enyl]benzene
CID 89232811
1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol
CID 75534520
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
1-fluoro-4-[(3-phenylprop-2-enyltrisulfanyl)methyl]benzene
CID 74936953
methylsulfanyl-[(E)-3-phenylprop-2-enyl]sulfanylmethanone
CID 11096252

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanylprop-1-enylbenzene?
The IUPAC name of 3-benzylsulfanylprop-1-enylbenzene (CID 71388292) is 3-benzylsulfanylprop-1-enylbenzene.
What is the SMILES notation for 3-benzylsulfanylprop-1-enylbenzene?
The canonical SMILES for 3-benzylsulfanylprop-1-enylbenzene is C(=Cc1ccccc1)CSCc1ccccc1.
What is the InChIKey of 3-benzylsulfanylprop-1-enylbenzene?
The InChIKey is ZCWGQVMUFLRTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S/c1-3-8-15(9-4-1)12-7-13-17-14-16-10-5-2-6-11-16/h1-12H,13-14H2.
What are the key properties of 3-benzylsulfanylprop-1-enylbenzene?
3-benzylsulfanylprop-1-enylbenzene has a molecular weight of 240.37 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanylprop-1-enylbenzene is sourced from PubChem (CID 71388292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).