(E)-5-chloro-2-methylsulfanylhex-2-ene

C7H13ClS — CID 170064017

IUPAC(E)-5-chloro-2-methylsulfanylhex-2-ene
SMILESCS/C(C)=C/CC(C)Cl
InChIInChI=1S/C7H13ClS/c1-6(8)4-5-7(2)9-3/h5-6H,4H2,1-3H3/b7-5+
InChIKeyIOKASGXKPIPGKK-FNORWQNLSA-N
MW164.70 g/mol
LogP3.27
Rot. Bonds3

About (E)-5-chloro-2-methylsulfanylhex-2-ene

(E)-5-chloro-2-methylsulfanylhex-2-ene (PubChem CID 170064017) has the molecular formula C7H13ClS and a molecular weight of 164.70 g/mol. Its IUPAC name is (E)-5-chloro-2-methylsulfanylhex-2-ene.

Molecular Properties

Compound Name(E)-5-chloro-2-methylsulfanylhex-2-ene
PubChem CID170064017
Molecular FormulaC7H13ClS
Molecular Weight164.70 g/mol
Exact Mass164.04
IUPAC Name(E)-5-chloro-2-methylsulfanylhex-2-ene
SMILESCS/C(C)=C/CC(C)Cl
InChIInChI=1S/C7H13ClS/c1-6(8)4-5-7(2)9-3/h5-6H,4H2,1-3H3/b7-5+
InChIKeyIOKASGXKPIPGKK-FNORWQNLSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.70
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-chloro-2-methylsulfanylhex-2-ene?
The IUPAC name of (E)-5-chloro-2-methylsulfanylhex-2-ene (CID 170064017) is (E)-5-chloro-2-methylsulfanylhex-2-ene.
What is the SMILES notation for (E)-5-chloro-2-methylsulfanylhex-2-ene?
The canonical SMILES for (E)-5-chloro-2-methylsulfanylhex-2-ene is CS/C(C)=C/CC(C)Cl.
What is the InChIKey of (E)-5-chloro-2-methylsulfanylhex-2-ene?
The InChIKey is IOKASGXKPIPGKK-FNORWQNLSA-N. The full InChI is InChI=1S/C7H13ClS/c1-6(8)4-5-7(2)9-3/h5-6H,4H2,1-3H3/b7-5+.
What are the key properties of (E)-5-chloro-2-methylsulfanylhex-2-ene?
(E)-5-chloro-2-methylsulfanylhex-2-ene has a molecular weight of 164.70 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-chloro-2-methylsulfanylhex-2-ene is sourced from PubChem (CID 170064017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).