3-ethyldithiolane

C5H10S2 — CID 18689485

IUPAC3-ethyldithiolane
SMILESCCC1CCSS1
InChIInChI=1S/C5H10S2/c1-2-5-3-4-6-7-5/h5H,2-4H2,1H3
InChIKeyFOUYDWCPINEQDR-UHFFFAOYSA-N
MW134.27 g/mol
LogP2.55
Rot. Bonds1

About 3-ethyldithiolane

3-ethyldithiolane (PubChem CID 18689485) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is 3-ethyldithiolane.

Molecular Properties

Compound Name3-ethyldithiolane
PubChem CID18689485
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Name3-ethyldithiolane
SMILESCCC1CCSS1
InChIInChI=1S/C5H10S2/c1-2-5-3-4-6-7-5/h5H,2-4H2,1H3
InChIKeyFOUYDWCPINEQDR-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Amyl methyl disulfide
CID 522459
1-Pentanesulfenothioic acid
CID 21251947
3,3-Dimethyl-1,2-dithiolane
CID 6453614
Charatoxin
CID 156360
4,4-Dimethyl-1,2,3-trithiolane
CID 16664240
1,2-Dithiolane, 3-propyl-
CID 155530
3-Methyl-1,2-dithiolane
CID 525446
1,2-Dithiolane, 4,4-dimethyl-
CID 11105410
(3R)-3-propyldithiolane
CID 13039504
Diathyltrithiolan
CID 129632532
1,2-Dithiolane, 4-methyl
CID 219461
Methyl pentyl trisulfide
CID 91751019

Frequently Asked Questions

What is the IUPAC name of 3-ethyldithiolane?
The IUPAC name of 3-ethyldithiolane (CID 18689485) is 3-ethyldithiolane.
What is the SMILES notation for 3-ethyldithiolane?
The canonical SMILES for 3-ethyldithiolane is CCC1CCSS1.
What is the InChIKey of 3-ethyldithiolane?
The InChIKey is FOUYDWCPINEQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S2/c1-2-5-3-4-6-7-5/h5H,2-4H2,1H3.
What are the key properties of 3-ethyldithiolane?
3-ethyldithiolane has a molecular weight of 134.27 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyldithiolane is sourced from PubChem (CID 18689485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).