(methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane

C5H12O2S5 — CID 11777600

IUPAC(methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane
SMILESCSSCSCSCS(C)(=O)=O
InChIInChI=1S/C5H12O2S5/c1-8-11-4-9-3-10-5-12(2,6)7/h3-5H2,1-2H3
InChIKeyBHWJQDRVDKQMFE-UHFFFAOYSA-N
MW264.48 g/mol
LogP2.38
Rot. Bonds7

About (methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane

(methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane (PubChem CID 11777600) has the molecular formula C5H12O2S5 and a molecular weight of 264.48 g/mol. Its IUPAC name is (methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane.

Molecular Properties

Compound Name(methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane
PubChem CID11777600
Molecular FormulaC5H12O2S5
Molecular Weight264.48 g/mol
Exact Mass263.94
IUPAC Name(methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane
SMILESCSSCSCSCS(C)(=O)=O
InChIInChI=1S/C5H12O2S5/c1-8-11-4-9-3-10-5-12(2,6)7/h3-5H2,1-2H3
InChIKeyBHWJQDRVDKQMFE-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane?
The IUPAC name of (methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane (CID 11777600) is (methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane.
What is the SMILES notation for (methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane?
The canonical SMILES for (methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane is CSSCSCSCS(C)(=O)=O.
What is the InChIKey of (methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane?
The InChIKey is BHWJQDRVDKQMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2S5/c1-8-11-4-9-3-10-5-12(2,6)7/h3-5H2,1-2H3.
What are the key properties of (methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane?
(methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane has a molecular weight of 264.48 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (methyldisulfanyl)methylsulfanyl-(methylsulfonylmethylsulfanyl)methane is sourced from PubChem (CID 11777600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).