(3Z)-4-ethylsulfanylpenta-1,3-diene

C7H12S — CID 143409580

IUPAC(3Z)-4-ethylsulfanylpenta-1,3-diene
SMILESC=C/C=C(/C)SCC
InChIInChI=1S/C7H12S/c1-4-6-7(3)8-5-2/h4,6H,1,5H2,2-3H3/b7-6-
InChIKeyAINVAXNKWOXKSM-SREVYHEPSA-N
MW128.24 g/mol
LogP2.83
Rot. Bonds3

About (3Z)-4-ethylsulfanylpenta-1,3-diene

(3Z)-4-ethylsulfanylpenta-1,3-diene (PubChem CID 143409580) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is (3Z)-4-ethylsulfanylpenta-1,3-diene.

Molecular Properties

Compound Name(3Z)-4-ethylsulfanylpenta-1,3-diene
PubChem CID143409580
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name(3Z)-4-ethylsulfanylpenta-1,3-diene
SMILESC=C/C=C(/C)SCC
InChIInChI=1S/C7H12S/c1-4-6-7(3)8-5-2/h4,6H,1,5H2,2-3H3/b7-6-
InChIKeyAINVAXNKWOXKSM-SREVYHEPSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.83
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 (3Z)-4-ethylsulfanylpenta-1,3-diene?
The IUPAC name of (3Z)-4-ethylsulfanylpenta-1,3-diene (CID 143409580) is (3Z)-4-ethylsulfanylpenta-1,3-diene.
What is the SMILES notation for (3Z)-4-ethylsulfanylpenta-1,3-diene?
The canonical SMILES for (3Z)-4-ethylsulfanylpenta-1,3-diene is C=C/C=C(/C)SCC.
What is the InChIKey of (3Z)-4-ethylsulfanylpenta-1,3-diene?
The InChIKey is AINVAXNKWOXKSM-SREVYHEPSA-N. The full InChI is InChI=1S/C7H12S/c1-4-6-7(3)8-5-2/h4,6H,1,5H2,2-3H3/b7-6-.
What are the key properties of (3Z)-4-ethylsulfanylpenta-1,3-diene?
(3Z)-4-ethylsulfanylpenta-1,3-diene has a molecular weight of 128.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethylsulfanylpenta-1,3-diene is sourced from PubChem (CID 143409580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).