6-sulfanylidenedodeca-2,4,7,10-tetraenethial

C12H14S2 — CID 90726222

IUPAC6-sulfanylidenedodeca-2,4,7,10-tetraenethial
SMILESCC=CCC=CC(=S)C=CC=CC=S
InChIInChI=1S/C12H14S2/c1-2-3-4-6-9-12(14)10-7-5-8-11-13/h2-3,5-11H,4H2,1H3
InChIKeyVQDSDBSCKXWTDA-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.99
Rot. Bonds6

About 6-sulfanylidenedodeca-2,4,7,10-tetraenethial

6-sulfanylidenedodeca-2,4,7,10-tetraenethial (PubChem CID 90726222) has the molecular formula C12H14S2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 6-sulfanylidenedodeca-2,4,7,10-tetraenethial.

Molecular Properties

Compound Name6-sulfanylidenedodeca-2,4,7,10-tetraenethial
PubChem CID90726222
Molecular FormulaC12H14S2
Molecular Weight222.38 g/mol
Exact Mass222.05
IUPAC Name6-sulfanylidenedodeca-2,4,7,10-tetraenethial
SMILESCC=CCC=CC(=S)C=CC=CC=S
InChIInChI=1S/C12H14S2/c1-2-3-4-6-9-12(14)10-7-5-8-11-13/h2-3,5-11H,4H2,1H3
InChIKeyVQDSDBSCKXWTDA-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-sulfanylidenedodeca-2,4,7,10-tetraenethial?
The IUPAC name of 6-sulfanylidenedodeca-2,4,7,10-tetraenethial (CID 90726222) is 6-sulfanylidenedodeca-2,4,7,10-tetraenethial.
What is the SMILES notation for 6-sulfanylidenedodeca-2,4,7,10-tetraenethial?
The canonical SMILES for 6-sulfanylidenedodeca-2,4,7,10-tetraenethial is CC=CCC=CC(=S)C=CC=CC=S.
What is the InChIKey of 6-sulfanylidenedodeca-2,4,7,10-tetraenethial?
The InChIKey is VQDSDBSCKXWTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14S2/c1-2-3-4-6-9-12(14)10-7-5-8-11-13/h2-3,5-11H,4H2,1H3.
What are the key properties of 6-sulfanylidenedodeca-2,4,7,10-tetraenethial?
6-sulfanylidenedodeca-2,4,7,10-tetraenethial has a molecular weight of 222.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfanylidenedodeca-2,4,7,10-tetraenethial is sourced from PubChem (CID 90726222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).