[(E)-3-phenylprop-2-enyl]sulfanylbenzene

C15H14S — CID 5370613

IUPAC[(E)-3-phenylprop-2-enyl]sulfanylbenzene
SMILESC(=C/c1ccccc1)\CSc1ccccc1
InChIInChI=1S/C15H14S/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-12H,13H2/b10-7+
InChIKeyFEHPZIJSLMHZSJ-JXMROGBWSA-N
MW226.34 g/mol
LogP4.49
Rot. Bonds4

About [(E)-3-phenylprop-2-enyl]sulfanylbenzene

[(E)-3-phenylprop-2-enyl]sulfanylbenzene (PubChem CID 5370613) has the molecular formula C15H14S and a molecular weight of 226.34 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl]sulfanylbenzene
PubChem CID5370613
Molecular FormulaC15H14S
Molecular Weight226.34 g/mol
Exact Mass226.08
IUPAC Name[(E)-3-phenylprop-2-enyl]sulfanylbenzene
SMILESC(=C/c1ccccc1)\CSc1ccccc1
InChIInChI=1S/C15H14S/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-12H,13H2/b10-7+
InChIKeyFEHPZIJSLMHZSJ-JXMROGBWSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl]sulfanylbenzene?
The IUPAC name of [(E)-3-phenylprop-2-enyl]sulfanylbenzene (CID 5370613) is [(E)-3-phenylprop-2-enyl]sulfanylbenzene.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl]sulfanylbenzene?
The canonical SMILES for [(E)-3-phenylprop-2-enyl]sulfanylbenzene is C(=C/c1ccccc1)\CSc1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl]sulfanylbenzene?
The InChIKey is FEHPZIJSLMHZSJ-JXMROGBWSA-N. The full InChI is InChI=1S/C15H14S/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-12H,13H2/b10-7+.
What are the key properties of [(E)-3-phenylprop-2-enyl]sulfanylbenzene?
[(E)-3-phenylprop-2-enyl]sulfanylbenzene has a molecular weight of 226.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl]sulfanylbenzene is sourced from PubChem (CID 5370613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).