(methyltrisulfanyl)ethane

C3H8S3 — CID 525358

IUPAC(methyltrisulfanyl)ethane
SMILESCCSSSC
InChIInChI=1S/C3H8S3/c1-3-5-6-4-2/h3H2,1-2H3
InChIKeyXEKUTWIJPKGAQT-UHFFFAOYSA-N
MW140.30 g/mol
LogP2.67
Rot. Bonds3

About (methyltrisulfanyl)ethane

(methyltrisulfanyl)ethane (PubChem CID 525358) has the molecular formula C3H8S3 and a molecular weight of 140.30 g/mol. Its IUPAC name is (methyltrisulfanyl)ethane.

Molecular Properties

Compound Name(methyltrisulfanyl)ethane
PubChem CID525358
Molecular FormulaC3H8S3
Molecular Weight140.30 g/mol
Exact Mass139.98
IUPAC Name(methyltrisulfanyl)ethane
SMILESCCSSSC
InChIInChI=1S/C3H8S3/c1-3-5-6-4-2/h3H2,1-2H3
InChIKeyXEKUTWIJPKGAQT-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (methyltrisulfanyl)ethane?
The IUPAC name of (methyltrisulfanyl)ethane (CID 525358) is (methyltrisulfanyl)ethane.
What is the SMILES notation for (methyltrisulfanyl)ethane?
The canonical SMILES for (methyltrisulfanyl)ethane is CCSSSC.
What is the InChIKey of (methyltrisulfanyl)ethane?
The InChIKey is XEKUTWIJPKGAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8S3/c1-3-5-6-4-2/h3H2,1-2H3.
What are the key properties of (methyltrisulfanyl)ethane?
(methyltrisulfanyl)ethane has a molecular weight of 140.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (methyltrisulfanyl)ethane is sourced from PubChem (CID 525358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).