(3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene

C8H12S — CID 143284649

IUPAC(3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene
SMILESC=C/C=C\C=C/CSC
InChIInChI=1S/C8H12S/c1-3-4-5-6-7-8-9-2/h3-7H,1,8H2,2H3/b5-4-,7-6-
InChIKeyAUTFEUWHVYQMRA-RZSVFLSASA-N
MW140.25 g/mol
LogP2.65
Rot. Bonds4

About (3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene

(3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene (PubChem CID 143284649) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is (3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene
PubChem CID143284649
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name(3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene
SMILESC=C/C=C\C=C/CSC
InChIInChI=1S/C8H12S/c1-3-4-5-6-7-8-9-2/h3-7H,1,8H2,2H3/b5-4-,7-6-
InChIKeyAUTFEUWHVYQMRA-RZSVFLSASA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
deca-1,3,5,7-tetraene
CID 54238998
(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 173025188
docosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 91543808
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
(3Z,5Z,8E)-deca-1,3,5,8-tetraene
CID 143634043
(3E,5E,8E)-deca-1,3,5,8-tetraene
CID 57189685
(3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene
CID 102100192
(2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine
CID 101175233
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237
10-dodeca-5,7,9,11-tetraen-3-ylsulfanyldodeca-1,3,5,7-tetraene
CID 142081858
(3Z,5Z,9E)-10-methylsulfanyldodeca-1,3,5,9-tetraene
CID 138628384

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene (CID 143284649) is (3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene is C=C/C=C\C=C/CSC.
What is the InChIKey of (3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene?
The InChIKey is AUTFEUWHVYQMRA-RZSVFLSASA-N. The full InChI is InChI=1S/C8H12S/c1-3-4-5-6-7-8-9-2/h3-7H,1,8H2,2H3/b5-4-,7-6-.
What are the key properties of (3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene?
(3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene has a molecular weight of 140.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-methylsulfanylhepta-1,3,5-triene is sourced from PubChem (CID 143284649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).