(1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene

C6H9ClS — CID 87152904

IUPAC(1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene
SMILESCS/C(C)=C\C=C\Cl
InChIInChI=1S/C6H9ClS/c1-6(8-2)4-3-5-7/h3-5H,1-2H3/b5-3+,6-4-
InChIKeyIAOFPZSITZELBD-UZNMPDEFSA-N
MW148.66 g/mol
LogP3.01
Rot. Bonds2

About (1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene

(1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene (PubChem CID 87152904) has the molecular formula C6H9ClS and a molecular weight of 148.66 g/mol. Its IUPAC name is (1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene.

Molecular Properties

Compound Name(1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene
PubChem CID87152904
Molecular FormulaC6H9ClS
Molecular Weight148.66 g/mol
Exact Mass148.01
IUPAC Name(1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene
SMILESCS/C(C)=C\C=C\Cl
InChIInChI=1S/C6H9ClS/c1-6(8-2)4-3-5-7/h3-5H,1-2H3/b5-3+,6-4-
InChIKeyIAOFPZSITZELBD-UZNMPDEFSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.66
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene?
The IUPAC name of (1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene (CID 87152904) is (1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene.
What is the SMILES notation for (1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene?
The canonical SMILES for (1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene is CS/C(C)=C\C=C\Cl.
What is the InChIKey of (1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene?
The InChIKey is IAOFPZSITZELBD-UZNMPDEFSA-N. The full InChI is InChI=1S/C6H9ClS/c1-6(8-2)4-3-5-7/h3-5H,1-2H3/b5-3+,6-4-.
What are the key properties of (1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene?
(1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene has a molecular weight of 148.66 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-chloro-4-methylsulfanylpenta-1,3-diene is sourced from PubChem (CID 87152904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).