(methoxydisulfanyl)methylsulfanyl methanesulfinate

C3H8O3S4 — CID 20578575

IUPAC(methoxydisulfanyl)methylsulfanyl methanesulfinate
SMILESCOSSCSOS(C)=O
InChIInChI=1S/C3H8O3S4/c1-5-9-8-3-7-6-10(2)4/h3H2,1-2H3
InChIKeyLMLNYHYDPIRDSO-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.85
Rot. Bonds6

About (methoxydisulfanyl)methylsulfanyl methanesulfinate

(methoxydisulfanyl)methylsulfanyl methanesulfinate (PubChem CID 20578575) has the molecular formula C3H8O3S4 and a molecular weight of 220.36 g/mol. Its IUPAC name is (methoxydisulfanyl)methylsulfanyl methanesulfinate.

Molecular Properties

Compound Name(methoxydisulfanyl)methylsulfanyl methanesulfinate
PubChem CID20578575
Molecular FormulaC3H8O3S4
Molecular Weight220.36 g/mol
Exact Mass219.94
IUPAC Name(methoxydisulfanyl)methylsulfanyl methanesulfinate
SMILESCOSSCSOS(C)=O
InChIInChI=1S/C3H8O3S4/c1-5-9-8-3-7-6-10(2)4/h3H2,1-2H3
InChIKeyLMLNYHYDPIRDSO-UHFFFAOYSA-N
XLogP1.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.85
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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze (methoxydisulfanyl)methylsulfanyl methanesulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (methoxydisulfanyl)methylsulfanyl methanesulfinate?
The IUPAC name of (methoxydisulfanyl)methylsulfanyl methanesulfinate (CID 20578575) is (methoxydisulfanyl)methylsulfanyl methanesulfinate.
What is the SMILES notation for (methoxydisulfanyl)methylsulfanyl methanesulfinate?
The canonical SMILES for (methoxydisulfanyl)methylsulfanyl methanesulfinate is COSSCSOS(C)=O.
What is the InChIKey of (methoxydisulfanyl)methylsulfanyl methanesulfinate?
The InChIKey is LMLNYHYDPIRDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3S4/c1-5-9-8-3-7-6-10(2)4/h3H2,1-2H3.
What are the key properties of (methoxydisulfanyl)methylsulfanyl methanesulfinate?
(methoxydisulfanyl)methylsulfanyl methanesulfinate has a molecular weight of 220.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (methoxydisulfanyl)methylsulfanyl methanesulfinate is sourced from PubChem (CID 20578575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).