(Z)-2-chloro-5-methylsulfanylhex-3-ene

C7H13ClS — CID 88978651

IUPAC(Z)-2-chloro-5-methylsulfanylhex-3-ene
SMILESCSC(C)/C=C\C(C)Cl
InChIInChI=1S/C7H13ClS/c1-6(8)4-5-7(2)9-3/h4-7H,1-3H3/b5-4-
InChIKeyZAGIYYUZTHKPRM-PLNGDYQASA-N
MW164.70 g/mol
LogP2.92
Rot. Bonds3

About (Z)-2-chloro-5-methylsulfanylhex-3-ene

(Z)-2-chloro-5-methylsulfanylhex-3-ene (PubChem CID 88978651) has the molecular formula C7H13ClS and a molecular weight of 164.70 g/mol. Its IUPAC name is (Z)-2-chloro-5-methylsulfanylhex-3-ene.

Molecular Properties

Compound Name(Z)-2-chloro-5-methylsulfanylhex-3-ene
PubChem CID88978651
Molecular FormulaC7H13ClS
Molecular Weight164.70 g/mol
Exact Mass164.04
IUPAC Name(Z)-2-chloro-5-methylsulfanylhex-3-ene
SMILESCSC(C)/C=C\C(C)Cl
InChIInChI=1S/C7H13ClS/c1-6(8)4-5-7(2)9-3/h4-7H,1-3H3/b5-4-
InChIKeyZAGIYYUZTHKPRM-PLNGDYQASA-N
XLogP2.92
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 ≤ 52.92
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-chloro-5-methylsulfanylhex-3-ene?
The IUPAC name of (Z)-2-chloro-5-methylsulfanylhex-3-ene (CID 88978651) is (Z)-2-chloro-5-methylsulfanylhex-3-ene.
What is the SMILES notation for (Z)-2-chloro-5-methylsulfanylhex-3-ene?
The canonical SMILES for (Z)-2-chloro-5-methylsulfanylhex-3-ene is CSC(C)/C=C\C(C)Cl.
What is the InChIKey of (Z)-2-chloro-5-methylsulfanylhex-3-ene?
The InChIKey is ZAGIYYUZTHKPRM-PLNGDYQASA-N. The full InChI is InChI=1S/C7H13ClS/c1-6(8)4-5-7(2)9-3/h4-7H,1-3H3/b5-4-.
What are the key properties of (Z)-2-chloro-5-methylsulfanylhex-3-ene?
(Z)-2-chloro-5-methylsulfanylhex-3-ene has a molecular weight of 164.70 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-5-methylsulfanylhex-3-ene is sourced from PubChem (CID 88978651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).