methylsulfanyl(methylsulfanylsulfonyl)methane

C3H8O2S3 — CID 86208847

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

About methylsulfanyl(methylsulfanylsulfonyl)methane

methylsulfanyl(methylsulfanylsulfonyl)methane (PubChem CID 86208847) has the molecular formula C3H8O2S3 and a molecular weight of 172.30 g/mol. Its IUPAC name is methylsulfanyl(methylsulfanylsulfonyl)methane.

Molecular Properties

Compound Namemethylsulfanyl(methylsulfanylsulfonyl)methane
PubChem CID86208847
Molecular FormulaC3H8O2S3
Molecular Weight172.30 g/mol
Exact Mass171.97
IUPAC Namemethylsulfanyl(methylsulfanylsulfonyl)methane
SMILESCSCS(=O)(=O)SC
InChIInChI=1S/C3H8O2S3/c1-6-3-8(4,5)7-2/h3H2,1-2H3
InChIKeyKBKQSWQEBOBFKC-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'}

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Frequently Asked Questions

What is the IUPAC name of methylsulfanyl(methylsulfanylsulfonyl)methane?
The IUPAC name of methylsulfanyl(methylsulfanylsulfonyl)methane (CID 86208847) is methylsulfanyl(methylsulfanylsulfonyl)methane.
What is the SMILES notation for methylsulfanyl(methylsulfanylsulfonyl)methane?
The canonical SMILES for methylsulfanyl(methylsulfanylsulfonyl)methane is CSCS(=O)(=O)SC.
What is the InChIKey of methylsulfanyl(methylsulfanylsulfonyl)methane?
The InChIKey is KBKQSWQEBOBFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2S3/c1-6-3-8(4,5)7-2/h3H2,1-2H3.
What are the key properties of methylsulfanyl(methylsulfanylsulfonyl)methane?
methylsulfanyl(methylsulfanylsulfonyl)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(methylsulfanylsulfonyl)methane is sourced from PubChem (CID 86208847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).