4-(4-methylpent-3-enyl)-3,6-dihydrodithiine

C10H16S2 — CID 534986

IUPAC4-(4-methylpent-3-enyl)-3,6-dihydrodithiine
SMILESCC(C)=CCCC1=CCSSC1
InChIInChI=1S/C10H16S2/c1-9(2)4-3-5-10-6-7-11-12-8-10/h4,6H,3,5,7-8H2,1-2H3
InChIKeyQQBNLTZXJHZJJD-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.05
Rot. Bonds3

About 4-(4-methylpent-3-enyl)-3,6-dihydrodithiine

4-(4-methylpent-3-enyl)-3,6-dihydrodithiine (PubChem CID 534986) has the molecular formula C10H16S2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 4-(4-methylpent-3-enyl)-3,6-dihydrodithiine.

Molecular Properties

Compound Name4-(4-methylpent-3-enyl)-3,6-dihydrodithiine
PubChem CID534986
Molecular FormulaC10H16S2
Molecular Weight200.37 g/mol
Exact Mass200.07
IUPAC Name4-(4-methylpent-3-enyl)-3,6-dihydrodithiine
SMILESCC(C)=CCCC1=CCSSC1
InChIInChI=1S/C10H16S2/c1-9(2)4-3-5-10-6-7-11-12-8-10/h4,6H,3,5,7-8H2,1-2H3
InChIKeyQQBNLTZXJHZJJD-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(4-methylpent-3-enyl)-3,6-dihydrodithiine?
The IUPAC name of 4-(4-methylpent-3-enyl)-3,6-dihydrodithiine (CID 534986) is 4-(4-methylpent-3-enyl)-3,6-dihydrodithiine.
What is the SMILES notation for 4-(4-methylpent-3-enyl)-3,6-dihydrodithiine?
The canonical SMILES for 4-(4-methylpent-3-enyl)-3,6-dihydrodithiine is CC(C)=CCCC1=CCSSC1.
What is the InChIKey of 4-(4-methylpent-3-enyl)-3,6-dihydrodithiine?
The InChIKey is QQBNLTZXJHZJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S2/c1-9(2)4-3-5-10-6-7-11-12-8-10/h4,6H,3,5,7-8H2,1-2H3.
What are the key properties of 4-(4-methylpent-3-enyl)-3,6-dihydrodithiine?
4-(4-methylpent-3-enyl)-3,6-dihydrodithiine has a molecular weight of 200.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpent-3-enyl)-3,6-dihydrodithiine is sourced from PubChem (CID 534986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).