(3Z)-3-prop-2-enylsulfanylpenta-1,3-diene

C8H12S — CID 118518966

IUPAC(3Z)-3-prop-2-enylsulfanylpenta-1,3-diene
SMILESC=CCS/C(C=C)=C\C
InChIInChI=1S/C8H12S/c1-4-7-9-8(5-2)6-3/h4-6H,1-2,7H2,3H3/b8-6-
InChIKeyMBMXSZXMFYLMMK-VURMDHGXSA-N
MW140.25 g/mol
LogP3.00
Rot. Bonds4

About (3Z)-3-prop-2-enylsulfanylpenta-1,3-diene

(3Z)-3-prop-2-enylsulfanylpenta-1,3-diene (PubChem CID 118518966) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is (3Z)-3-prop-2-enylsulfanylpenta-1,3-diene.

Molecular Properties

Compound Name(3Z)-3-prop-2-enylsulfanylpenta-1,3-diene
PubChem CID118518966
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name(3Z)-3-prop-2-enylsulfanylpenta-1,3-diene
SMILESC=CCS/C(C=C)=C\C
InChIInChI=1S/C8H12S/c1-4-7-9-8(5-2)6-3/h4-6H,1-2,7H2,3H3/b8-6-
InChIKeyMBMXSZXMFYLMMK-VURMDHGXSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-prop-2-enylsulfanylpenta-1,3-diene?
The IUPAC name of (3Z)-3-prop-2-enylsulfanylpenta-1,3-diene (CID 118518966) is (3Z)-3-prop-2-enylsulfanylpenta-1,3-diene.
What is the SMILES notation for (3Z)-3-prop-2-enylsulfanylpenta-1,3-diene?
The canonical SMILES for (3Z)-3-prop-2-enylsulfanylpenta-1,3-diene is C=CCS/C(C=C)=C\C.
What is the InChIKey of (3Z)-3-prop-2-enylsulfanylpenta-1,3-diene?
The InChIKey is MBMXSZXMFYLMMK-VURMDHGXSA-N. The full InChI is InChI=1S/C8H12S/c1-4-7-9-8(5-2)6-3/h4-6H,1-2,7H2,3H3/b8-6-.
What are the key properties of (3Z)-3-prop-2-enylsulfanylpenta-1,3-diene?
(3Z)-3-prop-2-enylsulfanylpenta-1,3-diene has a molecular weight of 140.25 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-prop-2-enylsulfanylpenta-1,3-diene is sourced from PubChem (CID 118518966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).