2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol

C5H12S4 — CID 14957851

IUPAC2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol
SMILESSCCSCSCCS
InChIInChI=1S/C5H12S4/c6-1-3-8-5-9-4-2-7/h6-7H,1-5H2
InChIKeyRDNOXVONDLWZCI-UHFFFAOYSA-N
MW200.42 g/mol
LogP2.27
Rot. Bonds6

About 2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol

2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol (PubChem CID 14957851) has the molecular formula C5H12S4 and a molecular weight of 200.42 g/mol. Its IUPAC name is 2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol.

Molecular Properties

Compound Name2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol
PubChem CID14957851
Molecular FormulaC5H12S4
Molecular Weight200.42 g/mol
Exact Mass199.98
IUPAC Name2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol
SMILESSCCSCSCCS
InChIInChI=1S/C5H12S4/c6-1-3-8-5-9-4-2-7/h6-7H,1-5H2
InChIKeyRDNOXVONDLWZCI-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol?
The IUPAC name of 2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol (CID 14957851) is 2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol.
What is the SMILES notation for 2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol?
The canonical SMILES for 2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol is SCCSCSCCS.
What is the InChIKey of 2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol?
The InChIKey is RDNOXVONDLWZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S4/c6-1-3-8-5-9-4-2-7/h6-7H,1-5H2.
What are the key properties of 2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol?
2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol has a molecular weight of 200.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylethylsulfanylmethylsulfanyl)ethanethiol is sourced from PubChem (CID 14957851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).