methylsulfinylmethane;dihydrochloride

C8H26Cl2O4S4 — CID 173283176

IUPACmethylsulfinylmethane;dihydrochloride
SMILESCS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O.Cl.Cl
InChIInChI=1S/4C2H6OS.2ClH/c4*1-4(2)3;;/h4*1-2H3;2*1H
InChIKeyYJBJDVJNIWYCPV-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.82
Rot. Bonds

About methylsulfinylmethane;dihydrochloride

methylsulfinylmethane;dihydrochloride (PubChem CID 173283176) has the molecular formula C8H26Cl2O4S4 and a molecular weight of 385.47 g/mol. Its IUPAC name is methylsulfinylmethane;dihydrochloride.

Molecular Properties

Compound Namemethylsulfinylmethane;dihydrochloride
PubChem CID173283176
Molecular FormulaC8H26Cl2O4S4
Molecular Weight385.47 g/mol
Exact Mass384.01
IUPAC Namemethylsulfinylmethane;dihydrochloride
SMILESCS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O.Cl.Cl
InChIInChI=1S/4C2H6OS.2ClH/c4*1-4(2)3;;/h4*1-2H3;2*1H
InChIKeyYJBJDVJNIWYCPV-UHFFFAOYSA-N
XLogP0.82
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methylsulfinylmethane;dihydrochloride 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 methylsulfinylmethane;dihydrochloride?
The IUPAC name of methylsulfinylmethane;dihydrochloride (CID 173283176) is methylsulfinylmethane;dihydrochloride.
What is the SMILES notation for methylsulfinylmethane;dihydrochloride?
The canonical SMILES for methylsulfinylmethane;dihydrochloride is CS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O.Cl.Cl.
What is the InChIKey of methylsulfinylmethane;dihydrochloride?
The InChIKey is YJBJDVJNIWYCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H6OS.2ClH/c4*1-4(2)3;;/h4*1-2H3;2*1H.
What are the key properties of methylsulfinylmethane;dihydrochloride?
methylsulfinylmethane;dihydrochloride has a molecular weight of 385.47 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethane;dihydrochloride is sourced from PubChem (CID 173283176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).