methylsulfanyl(methylsulfonylsulfanyl)methane

C3H8O2S3 — CID 10965006

IUPACmethylsulfanyl(methylsulfonylsulfanyl)methane
SMILESCSCSS(C)(=O)=O
InChIInChI=1S/C3H8O2S3/c1-6-3-7-8(2,4)5/h3H2,1-2H3
InChIKeySYAVJILWAIKGCS-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.00
Rot. Bonds3

About methylsulfanyl(methylsulfonylsulfanyl)methane

methylsulfanyl(methylsulfonylsulfanyl)methane (PubChem CID 10965006) has the molecular formula C3H8O2S3 and a molecular weight of 172.30 g/mol. Its IUPAC name is methylsulfanyl(methylsulfonylsulfanyl)methane.

Molecular Properties

Compound Namemethylsulfanyl(methylsulfonylsulfanyl)methane
PubChem CID10965006
Molecular FormulaC3H8O2S3
Molecular Weight172.30 g/mol
Exact Mass171.97
IUPAC Namemethylsulfanyl(methylsulfonylsulfanyl)methane
SMILESCSCSS(C)(=O)=O
InChIInChI=1S/C3H8O2S3/c1-6-3-7-8(2,4)5/h3H2,1-2H3
InChIKeySYAVJILWAIKGCS-UHFFFAOYSA-N
XLogP1.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 methylsulfanyl(methylsulfonylsulfanyl)methane?
The IUPAC name of methylsulfanyl(methylsulfonylsulfanyl)methane (CID 10965006) is methylsulfanyl(methylsulfonylsulfanyl)methane.
What is the SMILES notation for methylsulfanyl(methylsulfonylsulfanyl)methane?
The canonical SMILES for methylsulfanyl(methylsulfonylsulfanyl)methane is CSCSS(C)(=O)=O.
What is the InChIKey of methylsulfanyl(methylsulfonylsulfanyl)methane?
The InChIKey is SYAVJILWAIKGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2S3/c1-6-3-7-8(2,4)5/h3H2,1-2H3.
What are the key properties of methylsulfanyl(methylsulfonylsulfanyl)methane?
methylsulfanyl(methylsulfonylsulfanyl)methane has a molecular weight of 172.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl(methylsulfonylsulfanyl)methane is sourced from PubChem (CID 10965006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).