(2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol

C10H14S2 — CID 177393141

IUPAC(2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol
SMILESSC/C=C/C=C/C=C/C=C/CS
InChIInChI=1S/C10H14S2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-8,11-12H,9-10H2/b3-1+,4-2+,7-5+,8-6+
InChIKeyNAFVEDLYAQFEMS-QEQQUMNJSA-N
MW198.36 g/mol
LogP3.07
Rot. Bonds5

About (2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol

(2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol (PubChem CID 177393141) has the molecular formula C10H14S2 and a molecular weight of 198.36 g/mol. Its IUPAC name is (2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol.

Molecular Properties

Compound Name(2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol
PubChem CID177393141
Molecular FormulaC10H14S2
Molecular Weight198.36 g/mol
Exact Mass198.05
IUPAC Name(2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol
SMILESSC/C=C/C=C/C=C/C=C/CS
InChIInChI=1S/C10H14S2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-8,11-12H,9-10H2/b3-1+,4-2+,7-5+,8-6+
InChIKeyNAFVEDLYAQFEMS-QEQQUMNJSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol?
The IUPAC name of (2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol (CID 177393141) is (2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol.
What is the SMILES notation for (2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol?
The canonical SMILES for (2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol is SC/C=C/C=C/C=C/C=C/CS.
What is the InChIKey of (2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol?
The InChIKey is NAFVEDLYAQFEMS-QEQQUMNJSA-N. The full InChI is InChI=1S/C10H14S2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-8,11-12H,9-10H2/b3-1+,4-2+,7-5+,8-6+.
What are the key properties of (2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol?
(2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol has a molecular weight of 198.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-deca-2,4,6,8-tetraene-1,10-dithiol is sourced from PubChem (CID 177393141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).