3-(2-sulfanylethylsulfanyl)propane-1-thiol

C5H12S3 — CID 12691713

IUPAC3-(2-sulfanylethylsulfanyl)propane-1-thiol
SMILESSCCCSCCS
InChIInChI=1S/C5H12S3/c6-2-1-4-8-5-3-7/h6-7H,1-5H2
InChIKeyRSQCPZJFYJBZDV-UHFFFAOYSA-N
MW168.35 g/mol
LogP1.97
Rot. Bonds5

About 3-(2-sulfanylethylsulfanyl)propane-1-thiol

3-(2-sulfanylethylsulfanyl)propane-1-thiol (PubChem CID 12691713) has the molecular formula C5H12S3 and a molecular weight of 168.35 g/mol. Its IUPAC name is 3-(2-sulfanylethylsulfanyl)propane-1-thiol.

Molecular Properties

Compound Name3-(2-sulfanylethylsulfanyl)propane-1-thiol
PubChem CID12691713
Molecular FormulaC5H12S3
Molecular Weight168.35 g/mol
Exact Mass168.01
IUPAC Name3-(2-sulfanylethylsulfanyl)propane-1-thiol
SMILESSCCCSCCS
InChIInChI=1S/C5H12S3/c6-2-1-4-8-5-3-7/h6-7H,1-5H2
InChIKeyRSQCPZJFYJBZDV-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-sulfanylethylsulfanyl)propane-1-thiol?
The IUPAC name of 3-(2-sulfanylethylsulfanyl)propane-1-thiol (CID 12691713) is 3-(2-sulfanylethylsulfanyl)propane-1-thiol.
What is the SMILES notation for 3-(2-sulfanylethylsulfanyl)propane-1-thiol?
The canonical SMILES for 3-(2-sulfanylethylsulfanyl)propane-1-thiol is SCCCSCCS.
What is the InChIKey of 3-(2-sulfanylethylsulfanyl)propane-1-thiol?
The InChIKey is RSQCPZJFYJBZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S3/c6-2-1-4-8-5-3-7/h6-7H,1-5H2.
What are the key properties of 3-(2-sulfanylethylsulfanyl)propane-1-thiol?
3-(2-sulfanylethylsulfanyl)propane-1-thiol has a molecular weight of 168.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-sulfanylethylsulfanyl)propane-1-thiol is sourced from PubChem (CID 12691713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).