3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol

C5H12S4 — CID 139816281

IUPAC3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol
SMILESSCCCSCSCS
InChIInChI=1S/C5H12S4/c6-2-1-3-8-5-9-4-7/h6-7H,1-5H2
InChIKeyIBFQSCZBRFBWFC-UHFFFAOYSA-N
MW200.42 g/mol
LogP2.62
Rot. Bonds6

About 3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol

3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol (PubChem CID 139816281) has the molecular formula C5H12S4 and a molecular weight of 200.42 g/mol. Its IUPAC name is 3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol.

Molecular Properties

Compound Name3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol
PubChem CID139816281
Molecular FormulaC5H12S4
Molecular Weight200.42 g/mol
Exact Mass199.98
IUPAC Name3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol
SMILESSCCCSCSCS
InChIInChI=1S/C5H12S4/c6-2-1-3-8-5-9-4-7/h6-7H,1-5H2
InChIKeyIBFQSCZBRFBWFC-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol
CID 139816252
2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol
CID 160544641
sulfanylmethylsulfanylmethylsulfanylmethanethiol
CID 15824431
3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol
CID 139816250
3-(disulfanyl)propane-1-thiol
CID 101216787
6-ethylsulfanylhexane-1-thiol
CID 23423869
3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol
CID 86093563
9-pentylsulfanylnonane-1-thiol
CID 107766456
sodium 2-(3-sulfanylpropylsulfanyl)ethanesulfonate
CID 175604151
4-(2-methylpropylsulfanyl)butane-1-thiol
CID 57461880
2-(2-sulfanylethylsulfanyl)ethanethiol
CID 89313137
3-[3-[3-[2-[2-[3-[2-[2-[3-[3-(3-sulfanylpropylsulfanyl)propylsulfanyl]propylsulfanyl]ethoxy]ethoxy]-2,2-bis[2-[2-[3-[3-(3-sulfanylpropylsulfanyl)propylsulfanyl]propylsulfanyl]ethoxy]ethoxymethyl]propoxy]ethoxy]ethylsulfanyl]propylsulfanyl]propylsulfanyl]propane-1-thiol
CID 153301770

Frequently Asked Questions

What is the IUPAC name of 3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol?
The IUPAC name of 3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol (CID 139816281) is 3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol.
What is the SMILES notation for 3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol?
The canonical SMILES for 3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol is SCCCSCSCS.
What is the InChIKey of 3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol?
The InChIKey is IBFQSCZBRFBWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S4/c6-2-1-3-8-5-9-4-7/h6-7H,1-5H2.
What are the key properties of 3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol?
3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol has a molecular weight of 200.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol is sourced from PubChem (CID 139816281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).