[(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene

C11H11Cl3S — CID 23264695

IUPAC[(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene
SMILESCl/C(=C\CSc1ccccc1)CC(Cl)Cl
InChIInChI=1S/C11H11Cl3S/c12-9(8-11(13)14)6-7-15-10-4-2-1-3-5-10/h1-6,11H,7-8H2/b9-6-
InChIKeyOKTZWHGFDSJQNM-TWGQIWQCSA-N
MW281.63 g/mol
LogP5.10
Rot. Bonds5

About [(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene

[(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene (PubChem CID 23264695) has the molecular formula C11H11Cl3S and a molecular weight of 281.63 g/mol. Its IUPAC name is [(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene
PubChem CID23264695
Molecular FormulaC11H11Cl3S
Molecular Weight281.63 g/mol
Exact Mass279.96
IUPAC Name[(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene
SMILESCl/C(=C\CSc1ccccc1)CC(Cl)Cl
InChIInChI=1S/C11H11Cl3S/c12-9(8-11(13)14)6-7-15-10-4-2-1-3-5-10/h1-6,11H,7-8H2/b9-6-
InChIKeyOKTZWHGFDSJQNM-TWGQIWQCSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.63
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2E,4E)-4-methyl-6-phenylsulfanylhexa-2,4-dienenitrile
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(3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol
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Frequently Asked Questions

What is the IUPAC name of [(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene?
The IUPAC name of [(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene (CID 23264695) is [(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene.
What is the SMILES notation for [(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene?
The canonical SMILES for [(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene is Cl/C(=C\CSc1ccccc1)CC(Cl)Cl.
What is the InChIKey of [(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene?
The InChIKey is OKTZWHGFDSJQNM-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H11Cl3S/c12-9(8-11(13)14)6-7-15-10-4-2-1-3-5-10/h1-6,11H,7-8H2/b9-6-.
What are the key properties of [(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene?
[(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene has a molecular weight of 281.63 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3,5,5-trichloropent-2-enyl]sulfanylbenzene is sourced from PubChem (CID 23264695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).