(methyldisulfanyl)methylsulfanylethane

C4H10S3 — CID 86158213

IUPAC(methyldisulfanyl)methylsulfanylethane
SMILESCCSCSSC
InChIInChI=1S/C4H10S3/c1-3-6-4-7-5-2/h3-4H2,1-2H3
InChIKeyDKDHECKWAWCJRK-UHFFFAOYSA-N
MW154.32 g/mol
LogP2.71
Rot. Bonds4

About (methyldisulfanyl)methylsulfanylethane

(methyldisulfanyl)methylsulfanylethane (PubChem CID 86158213) has the molecular formula C4H10S3 and a molecular weight of 154.32 g/mol. Its IUPAC name is (methyldisulfanyl)methylsulfanylethane.

Molecular Properties

Compound Name(methyldisulfanyl)methylsulfanylethane
PubChem CID86158213
Molecular FormulaC4H10S3
Molecular Weight154.32 g/mol
Exact Mass153.99
IUPAC Name(methyldisulfanyl)methylsulfanylethane
SMILESCCSCSSC
InChIInChI=1S/C4H10S3/c1-3-6-4-7-5-2/h3-4H2,1-2H3
InChIKeyDKDHECKWAWCJRK-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.32
LogP ≤ 52.71
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (methyldisulfanyl)methylsulfanylethane?
The IUPAC name of (methyldisulfanyl)methylsulfanylethane (CID 86158213) is (methyldisulfanyl)methylsulfanylethane.
What is the SMILES notation for (methyldisulfanyl)methylsulfanylethane?
The canonical SMILES for (methyldisulfanyl)methylsulfanylethane is CCSCSSC.
What is the InChIKey of (methyldisulfanyl)methylsulfanylethane?
The InChIKey is DKDHECKWAWCJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S3/c1-3-6-4-7-5-2/h3-4H2,1-2H3.
What are the key properties of (methyldisulfanyl)methylsulfanylethane?
(methyldisulfanyl)methylsulfanylethane has a molecular weight of 154.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (methyldisulfanyl)methylsulfanylethane is sourced from PubChem (CID 86158213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).