(Z)-2-(1-chloroethylsulfanyl)hex-3-ene

C8H15ClS — CID 174090150

IUPAC(Z)-2-(1-chloroethylsulfanyl)hex-3-ene
SMILESCC/C=C\C(C)SC(C)Cl
InChIInChI=1S/C8H15ClS/c1-4-5-6-7(2)10-8(3)9/h5-8H,4H2,1-3H3/b6-5-
InChIKeyXUZSJYCAGAFWPJ-WAYWQWQTSA-N
MW178.73 g/mol
LogP3.66
Rot. Bonds4

About (Z)-2-(1-chloroethylsulfanyl)hex-3-ene

(Z)-2-(1-chloroethylsulfanyl)hex-3-ene (PubChem CID 174090150) has the molecular formula C8H15ClS and a molecular weight of 178.73 g/mol. Its IUPAC name is (Z)-2-(1-chloroethylsulfanyl)hex-3-ene.

Molecular Properties

Compound Name(Z)-2-(1-chloroethylsulfanyl)hex-3-ene
PubChem CID174090150
Molecular FormulaC8H15ClS
Molecular Weight178.73 g/mol
Exact Mass178.06
IUPAC Name(Z)-2-(1-chloroethylsulfanyl)hex-3-ene
SMILESCC/C=C\C(C)SC(C)Cl
InChIInChI=1S/C8H15ClS/c1-4-5-6-7(2)10-8(3)9/h5-8H,4H2,1-3H3/b6-5-
InChIKeyXUZSJYCAGAFWPJ-WAYWQWQTSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.73
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-chloroethylsulfanyl)hex-3-ene?
The IUPAC name of (Z)-2-(1-chloroethylsulfanyl)hex-3-ene (CID 174090150) is (Z)-2-(1-chloroethylsulfanyl)hex-3-ene.
What is the SMILES notation for (Z)-2-(1-chloroethylsulfanyl)hex-3-ene?
The canonical SMILES for (Z)-2-(1-chloroethylsulfanyl)hex-3-ene is CC/C=C\C(C)SC(C)Cl.
What is the InChIKey of (Z)-2-(1-chloroethylsulfanyl)hex-3-ene?
The InChIKey is XUZSJYCAGAFWPJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H15ClS/c1-4-5-6-7(2)10-8(3)9/h5-8H,4H2,1-3H3/b6-5-.
What are the key properties of (Z)-2-(1-chloroethylsulfanyl)hex-3-ene?
(Z)-2-(1-chloroethylsulfanyl)hex-3-ene has a molecular weight of 178.73 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-chloroethylsulfanyl)hex-3-ene is sourced from PubChem (CID 174090150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).