4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol

C6H14S4 — CID 139816252

IUPAC4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol
SMILESSCCCCSCSCS
InChIInChI=1S/C6H14S4/c7-3-1-2-4-9-6-10-5-8/h7-8H,1-6H2
InChIKeyYQDAAKRPOYGFDV-UHFFFAOYSA-N
MW214.45 g/mol
LogP3.01
Rot. Bonds7

About 4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol

4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol (PubChem CID 139816252) has the molecular formula C6H14S4 and a molecular weight of 214.45 g/mol. Its IUPAC name is 4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol.

Molecular Properties

Compound Name4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol
PubChem CID139816252
Molecular FormulaC6H14S4
Molecular Weight214.45 g/mol
Exact Mass214.00
IUPAC Name4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol
SMILESSCCCCSCSCS
InChIInChI=1S/C6H14S4/c7-3-1-2-4-9-6-10-5-8/h7-8H,1-6H2
InChIKeyYQDAAKRPOYGFDV-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.45
LogP ≤ 53.01
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

3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol
CID 139816281
sulfanylmethylsulfanylmethylsulfanylmethanethiol
CID 15824431
2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol
CID 160544641
6-ethylsulfanylhexane-1-thiol
CID 23423869
9-pentylsulfanylnonane-1-thiol
CID 107766456
4-(2-methylpropylsulfanyl)butane-1-thiol
CID 57461880
5-prop-2-enylsulfanylpentane-1-thiol
CID 130508037
3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol
CID 139816250
4-(2-methylbutylsulfanyl)butane-1-thiol
CID 107766515
4-[tris(4-sulfanylbutylsulfanyl)methylsulfanyl]butane-1-thiol
CID 175446478
11-sulfanylundecyl thiohypofluorite
CID 126693297
22-methylsulfanyldocosane-1-thiol
CID 153338809

Frequently Asked Questions

What is the IUPAC name of 4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol?
The IUPAC name of 4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol (CID 139816252) is 4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol.
What is the SMILES notation for 4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol?
The canonical SMILES for 4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol is SCCCCSCSCS.
What is the InChIKey of 4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol?
The InChIKey is YQDAAKRPOYGFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S4/c7-3-1-2-4-9-6-10-5-8/h7-8H,1-6H2.
What are the key properties of 4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol?
4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol has a molecular weight of 214.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol is sourced from PubChem (CID 139816252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).