(3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene

C9H12S — CID 145059872

IUPAC(3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene
SMILESC=C/C=C(\C=C)S/C=C\C
InChIInChI=1S/C9H12S/c1-4-7-9(6-3)10-8-5-2/h4-8H,1,3H2,2H3/b8-5-,9-7+
InChIKeyCUTZFYAYPPZLNH-ANVCMGODSA-N
MW152.26 g/mol
LogP3.51
Rot. Bonds4

About (3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene

(3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene (PubChem CID 145059872) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is (3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene
PubChem CID145059872
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name(3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene
SMILESC=C/C=C(\C=C)S/C=C\C
InChIInChI=1S/C9H12S/c1-4-7-9(6-3)10-8-5-2/h4-8H,1,3H2,2H3/b8-5-,9-7+
InChIKeyCUTZFYAYPPZLNH-ANVCMGODSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 53.51
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 (3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene?
The IUPAC name of (3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene (CID 145059872) is (3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene.
What is the SMILES notation for (3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene?
The canonical SMILES for (3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene is C=C/C=C(\C=C)S/C=C\C.
What is the InChIKey of (3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene?
The InChIKey is CUTZFYAYPPZLNH-ANVCMGODSA-N. The full InChI is InChI=1S/C9H12S/c1-4-7-9(6-3)10-8-5-2/h4-8H,1,3H2,2H3/b8-5-,9-7+.
What are the key properties of (3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene?
(3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene has a molecular weight of 152.26 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-prop-1-enyl]sulfanylhexa-1,3,5-triene is sourced from PubChem (CID 145059872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).