(6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine

C10H16S4 — CID 10912402

IUPAC(6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine
SMILESCC(C)=CCC/C1=C/CSSSSC1
InChIInChI=1S/C10H16S4/c1-9(2)4-3-5-10-6-7-11-13-14-12-8-10/h4,6H,3,5,7-8H2,1-2H3/b10-6-
InChIKeyOKRAIIIRDYCGGZ-POHAHGRESA-N
MW264.51 g/mol
LogP5.35
Rot. Bonds3

About (6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine

(6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine (PubChem CID 10912402) has the molecular formula C10H16S4 and a molecular weight of 264.51 g/mol. Its IUPAC name is (6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine.

Molecular Properties

Compound Name(6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine
PubChem CID10912402
Molecular FormulaC10H16S4
Molecular Weight264.51 g/mol
Exact Mass264.01
IUPAC Name(6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine
SMILESCC(C)=CCC/C1=C/CSSSSC1
InChIInChI=1S/C10H16S4/c1-9(2)4-3-5-10-6-7-11-13-14-12-8-10/h4,6H,3,5,7-8H2,1-2H3/b10-6-
InChIKeyOKRAIIIRDYCGGZ-POHAHGRESA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.51
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine?
The IUPAC name of (6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine (CID 10912402) is (6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine.
What is the SMILES notation for (6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine?
The canonical SMILES for (6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine is CC(C)=CCC/C1=C/CSSSSC1.
What is the InChIKey of (6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine?
The InChIKey is OKRAIIIRDYCGGZ-POHAHGRESA-N. The full InChI is InChI=1S/C10H16S4/c1-9(2)4-3-5-10-6-7-11-13-14-12-8-10/h4,6H,3,5,7-8H2,1-2H3/b10-6-.
What are the key properties of (6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine?
(6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine has a molecular weight of 264.51 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine is sourced from PubChem (CID 10912402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).