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

C6H14S3 — CID 18185507

IUPAC1-(1-sulfanylpropylsulfanyl)propane-1-thiol
SMILESCCC(S)SC(S)CC
InChIInChI=1S/C6H14S3/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3
InChIKeyMPDULAQZHPFPOG-UHFFFAOYSA-N
MW182.38 g/mol
LogP3.05
Rot. Bonds4

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

1-(1-sulfanylpropylsulfanyl)propane-1-thiol (PubChem CID 18185507) has the molecular formula C6H14S3 and a molecular weight of 182.38 g/mol. Its IUPAC name is 1-(1-sulfanylpropylsulfanyl)propane-1-thiol.

Molecular Properties

Compound Name1-(1-sulfanylpropylsulfanyl)propane-1-thiol
PubChem CID18185507
Molecular FormulaC6H14S3
Molecular Weight182.38 g/mol
Exact Mass182.03
IUPAC Name1-(1-sulfanylpropylsulfanyl)propane-1-thiol
SMILESCCC(S)SC(S)CC
InChIInChI=1S/C6H14S3/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3
InChIKeyMPDULAQZHPFPOG-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-sulfanylpropylsulfanyl)propane-1-thiol?
The IUPAC name of 1-(1-sulfanylpropylsulfanyl)propane-1-thiol (CID 18185507) is 1-(1-sulfanylpropylsulfanyl)propane-1-thiol.
What is the SMILES notation for 1-(1-sulfanylpropylsulfanyl)propane-1-thiol?
The canonical SMILES for 1-(1-sulfanylpropylsulfanyl)propane-1-thiol is CCC(S)SC(S)CC.
What is the InChIKey of 1-(1-sulfanylpropylsulfanyl)propane-1-thiol?
The InChIKey is MPDULAQZHPFPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S3/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(1-sulfanylpropylsulfanyl)propane-1-thiol?
1-(1-sulfanylpropylsulfanyl)propane-1-thiol has a molecular weight of 182.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-sulfanylpropylsulfanyl)propane-1-thiol is sourced from PubChem (CID 18185507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).