deuteriosulfanyl(methylsulfanyl)methane

C2H6S2 — CID 59921631

IUPACdeuteriosulfanyl(methylsulfanyl)methane
SMILES[2H]SCSC
InChIInChI=1S/C2H6S2/c1-4-2-3/h3H,2H2,1H3/i/hD
InChIKeyIXBUFAUQDFHNGI-DYCDLGHISA-N
MW95.21 g/mol
LogP1.24
Rot. Bonds2

About deuteriosulfanyl(methylsulfanyl)methane

deuteriosulfanyl(methylsulfanyl)methane (PubChem CID 59921631) has the molecular formula C2H6S2 and a molecular weight of 95.21 g/mol. Its IUPAC name is deuteriosulfanyl(methylsulfanyl)methane.

Molecular Properties

Compound Namedeuteriosulfanyl(methylsulfanyl)methane
PubChem CID59921631
Molecular FormulaC2H6S2
Molecular Weight95.21 g/mol
Exact Mass95.00
IUPAC Namedeuteriosulfanyl(methylsulfanyl)methane
SMILES[2H]SCSC
InChIInChI=1S/C2H6S2/c1-4-2-3/h3H,2H2,1H3/i/hD
InChIKeyIXBUFAUQDFHNGI-DYCDLGHISA-N
XLogP1.24
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of deuteriosulfanyl(methylsulfanyl)methane?
The IUPAC name of deuteriosulfanyl(methylsulfanyl)methane (CID 59921631) is deuteriosulfanyl(methylsulfanyl)methane.
What is the SMILES notation for deuteriosulfanyl(methylsulfanyl)methane?
The canonical SMILES for deuteriosulfanyl(methylsulfanyl)methane is [2H]SCSC.
What is the InChIKey of deuteriosulfanyl(methylsulfanyl)methane?
The InChIKey is IXBUFAUQDFHNGI-DYCDLGHISA-N. The full InChI is InChI=1S/C2H6S2/c1-4-2-3/h3H,2H2,1H3/i/hD.
What are the key properties of deuteriosulfanyl(methylsulfanyl)methane?
deuteriosulfanyl(methylsulfanyl)methane has a molecular weight of 95.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriosulfanyl(methylsulfanyl)methane is sourced from PubChem (CID 59921631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).