2-methylsulfonylsulfanylpropane

C4H10O2S2 — CID 88554094

IUPAC2-methylsulfonylsulfanylpropane
SMILESCC(C)SS(C)(=O)=O
InChIInChI=1S/C4H10O2S2/c1-4(2)7-8(3,5)6/h4H,1-3H3
InChIKeyMOVYLAVYWCMJMA-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.09
Rot. Bonds2

About 2-methylsulfonylsulfanylpropane

2-methylsulfonylsulfanylpropane (PubChem CID 88554094) has the molecular formula C4H10O2S2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methylsulfonylsulfanylpropane.

Molecular Properties

Compound Name2-methylsulfonylsulfanylpropane
PubChem CID88554094
Molecular FormulaC4H10O2S2
Molecular Weight154.26 g/mol
Exact Mass154.01
IUPAC Name2-methylsulfonylsulfanylpropane
SMILESCC(C)SS(C)(=O)=O
InChIInChI=1S/C4H10O2S2/c1-4(2)7-8(3,5)6/h4H,1-3H3
InChIKeyMOVYLAVYWCMJMA-UHFFFAOYSA-N
XLogP1.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylsulfonylsulfanylpropane 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 2-methylsulfonylsulfanylpropane?
The IUPAC name of 2-methylsulfonylsulfanylpropane (CID 88554094) is 2-methylsulfonylsulfanylpropane.
What is the SMILES notation for 2-methylsulfonylsulfanylpropane?
The canonical SMILES for 2-methylsulfonylsulfanylpropane is CC(C)SS(C)(=O)=O.
What is the InChIKey of 2-methylsulfonylsulfanylpropane?
The InChIKey is MOVYLAVYWCMJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S2/c1-4(2)7-8(3,5)6/h4H,1-3H3.
What are the key properties of 2-methylsulfonylsulfanylpropane?
2-methylsulfonylsulfanylpropane has a molecular weight of 154.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylsulfanylpropane is sourced from PubChem (CID 88554094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).