bis(methylsulfanyl)methane

C3H8S2 — CID 15380

IUPACbis(methylsulfanyl)methane
SMILESCSCSC
InChIInChI=1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3
InChIKeyLOCDPORVFVOGCR-UHFFFAOYSA-N
MW108.23 g/mol
LogP1.67
Rot. Bonds2

About bis(methylsulfanyl)methane

bis(methylsulfanyl)methane (PubChem CID 15380) has the molecular formula C3H8S2 and a molecular weight of 108.23 g/mol. Its IUPAC name is bis(methylsulfanyl)methane.

Molecular Properties

Compound Namebis(methylsulfanyl)methane
PubChem CID15380
Molecular FormulaC3H8S2
Molecular Weight108.23 g/mol
Exact Mass108.01
IUPAC Namebis(methylsulfanyl)methane
SMILESCSCSC
InChIInChI=1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3
InChIKeyLOCDPORVFVOGCR-UHFFFAOYSA-N
XLogP1.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(methylsulfanyl)methane?
The IUPAC name of bis(methylsulfanyl)methane (CID 15380) is bis(methylsulfanyl)methane.
What is the SMILES notation for bis(methylsulfanyl)methane?
The canonical SMILES for bis(methylsulfanyl)methane is CSCSC.
What is the InChIKey of bis(methylsulfanyl)methane?
The InChIKey is LOCDPORVFVOGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3.
What are the key properties of bis(methylsulfanyl)methane?
bis(methylsulfanyl)methane has a molecular weight of 108.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylsulfanyl)methane is sourced from PubChem (CID 15380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).