2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol

C7H14S4 — CID 22670206

IUPAC2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol
SMILESSCCSCCC1CSCS1
InChIInChI=1S/C7H14S4/c8-2-4-9-3-1-7-5-10-6-11-7/h7-8H,1-6H2
InChIKeyJJBDYLCYIFHNRM-UHFFFAOYSA-N
MW226.46 g/mol
LogP2.85
Rot. Bonds5

About 2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol

2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol (PubChem CID 22670206) has the molecular formula C7H14S4 and a molecular weight of 226.46 g/mol. Its IUPAC name is 2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol.

Molecular Properties

Compound Name2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol
PubChem CID22670206
Molecular FormulaC7H14S4
Molecular Weight226.46 g/mol
Exact Mass226.00
IUPAC Name2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol
SMILESSCCSCCC1CSCS1
InChIInChI=1S/C7H14S4/c8-2-4-9-3-1-7-5-10-6-11-7/h7-8H,1-6H2
InChIKeyJJBDYLCYIFHNRM-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,5-Diethyl-1,2,4-trithiolane
CID 520895
3,5-Diethyl-1,2,4-trithiolane, (Z)-
CID 6431294
2,2,4-Trimethyl-1,3-dithiolane
CID 22148
1,3-Dithiolane, 2-ethyl-2-methyl-
CID 22333
2-Methyl-2-tetrahydrothiophenethiol
CID 526190
2-Tetrahydrothiophenethiol
CID 526191
trans-3,5-Diethyl-1,2,4-trithiolane
CID 6432398
1,2,4-Trithiolane, 3-ethyl-5-methyl-
CID 6428834
2-Ethyl-4-methyl-1,3-dithiolane
CID 529629
(3S,5S)-3-Ethyl-5-methyl-1,2,4-trithiolane
CID 71374493
2,4-Dimethyl-1,3-dithiolane
CID 529623
2-Propyl-1,3-dithiolane
CID 529632

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol?
The IUPAC name of 2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol (CID 22670206) is 2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol.
What is the SMILES notation for 2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol?
The canonical SMILES for 2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol is SCCSCCC1CSCS1.
What is the InChIKey of 2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol?
The InChIKey is JJBDYLCYIFHNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S4/c8-2-4-9-3-1-7-5-10-6-11-7/h7-8H,1-6H2.
What are the key properties of 2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol?
2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol has a molecular weight of 226.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dithiolan-4-yl)ethylsulfanyl]ethanethiol is sourced from PubChem (CID 22670206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).