3-(3-sulfanylpropylsulfanyl)propane-1-thiol

C6H14S3 — CID 12691712

IUPAC3-(3-sulfanylpropylsulfanyl)propane-1-thiol
SMILESSCCCSCCCS
InChIInChI=1S/C6H14S3/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2
InChIKeyGZWIBBZCQMNKPK-UHFFFAOYSA-N
MW182.38 g/mol
LogP2.36
Rot. Bonds6

About 3-(3-sulfanylpropylsulfanyl)propane-1-thiol

3-(3-sulfanylpropylsulfanyl)propane-1-thiol (PubChem CID 12691712) has the molecular formula C6H14S3 and a molecular weight of 182.38 g/mol. Its IUPAC name is 3-(3-sulfanylpropylsulfanyl)propane-1-thiol.

Molecular Properties

Compound Name3-(3-sulfanylpropylsulfanyl)propane-1-thiol
PubChem CID12691712
Molecular FormulaC6H14S3
Molecular Weight182.38 g/mol
Exact Mass182.03
IUPAC Name3-(3-sulfanylpropylsulfanyl)propane-1-thiol
SMILESSCCCSCCCS
InChIInChI=1S/C6H14S3/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2
InChIKeyGZWIBBZCQMNKPK-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.38
LogP ≤ 52.36
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-(3-sulfanylpropylsulfanyl)propane-1-thiol?
The IUPAC name of 3-(3-sulfanylpropylsulfanyl)propane-1-thiol (CID 12691712) is 3-(3-sulfanylpropylsulfanyl)propane-1-thiol.
What is the SMILES notation for 3-(3-sulfanylpropylsulfanyl)propane-1-thiol?
The canonical SMILES for 3-(3-sulfanylpropylsulfanyl)propane-1-thiol is SCCCSCCCS.
What is the InChIKey of 3-(3-sulfanylpropylsulfanyl)propane-1-thiol?
The InChIKey is GZWIBBZCQMNKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S3/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2.
What are the key properties of 3-(3-sulfanylpropylsulfanyl)propane-1-thiol?
3-(3-sulfanylpropylsulfanyl)propane-1-thiol has a molecular weight of 182.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-sulfanylpropylsulfanyl)propane-1-thiol is sourced from PubChem (CID 12691712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).