4-butyl-3-ethyl-5-methyldithiolane

C10H20S2 — CID 155399041

IUPAC4-butyl-3-ethyl-5-methyldithiolane
SMILESCCCCC1C(C)SSC1CC
InChIInChI=1S/C10H20S2/c1-4-6-7-9-8(3)11-12-10(9)5-2/h8-10H,4-7H2,1-3H3
InChIKeyWEQKPMZXHDPMRB-UHFFFAOYSA-N
MW204.40 g/mol
LogP4.35
Rot. Bonds4

About 4-butyl-3-ethyl-5-methyldithiolane

4-butyl-3-ethyl-5-methyldithiolane (PubChem CID 155399041) has the molecular formula C10H20S2 and a molecular weight of 204.40 g/mol. Its IUPAC name is 4-butyl-3-ethyl-5-methyldithiolane.

Molecular Properties

Compound Name4-butyl-3-ethyl-5-methyldithiolane
PubChem CID155399041
Molecular FormulaC10H20S2
Molecular Weight204.40 g/mol
Exact Mass204.10
IUPAC Name4-butyl-3-ethyl-5-methyldithiolane
SMILESCCCCC1C(C)SSC1CC
InChIInChI=1S/C10H20S2/c1-4-6-7-9-8(3)11-12-10(9)5-2/h8-10H,4-7H2,1-3H3
InChIKeyWEQKPMZXHDPMRB-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-butyl-3-ethyl-5-methyldithiolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-methyl-2-pentylcyclopentane
CID 91079962
2,3,5,6-tetrabutyl-1,4-dithiane
CID 20721731
2-butyl-3,4-dimethylbicyclo[3.1.0]hexane
CID 123902108
1,2-dimethyl-3-pentylcyclopropane
CID 524654
2,4-dimethyl-3-octyl-5-propylthiolane
CID 170050469
2-butyl-3,6-dimethylcyclohexan-1-ol
CID 58534485
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
1,2-dimethyl-3-pentylcyclopropane;ethane
CID 143707793
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
1-butyl-2-methyl-3-propan-2-ylcyclopropane
CID 91545202
1-methyl-2-pentyl-3-propylcyclopropane
CID 123315526
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-ethyl-5-methyldithiolane?
The IUPAC name of 4-butyl-3-ethyl-5-methyldithiolane (CID 155399041) is 4-butyl-3-ethyl-5-methyldithiolane.
What is the SMILES notation for 4-butyl-3-ethyl-5-methyldithiolane?
The canonical SMILES for 4-butyl-3-ethyl-5-methyldithiolane is CCCCC1C(C)SSC1CC.
What is the InChIKey of 4-butyl-3-ethyl-5-methyldithiolane?
The InChIKey is WEQKPMZXHDPMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S2/c1-4-6-7-9-8(3)11-12-10(9)5-2/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-butyl-3-ethyl-5-methyldithiolane?
4-butyl-3-ethyl-5-methyldithiolane has a molecular weight of 204.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-ethyl-5-methyldithiolane is sourced from PubChem (CID 155399041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).