methanedithiol;methylsulfanylmethane

C3H10S3 — CID 161461076

IUPACmethanedithiol;methylsulfanylmethane
SMILESCSC.SCS
InChIInChI=1S/C2H6S.CH4S2/c1-3-2;2-1-3/h1-2H3;2-3H,1H2
InChIKeyWBUXNYNXWZFQTF-UHFFFAOYSA-N
MW142.31 g/mol
LogP1.78
Rot. Bonds

About methanedithiol;methylsulfanylmethane

methanedithiol;methylsulfanylmethane (PubChem CID 161461076) has the molecular formula C3H10S3 and a molecular weight of 142.31 g/mol. Its IUPAC name is methanedithiol;methylsulfanylmethane.

Molecular Properties

Compound Namemethanedithiol;methylsulfanylmethane
PubChem CID161461076
Molecular FormulaC3H10S3
Molecular Weight142.31 g/mol
Exact Mass141.99
IUPAC Namemethanedithiol;methylsulfanylmethane
SMILESCSC.SCS
InChIInChI=1S/C2H6S.CH4S2/c1-3-2;2-1-3/h1-2H3;2-3H,1H2
InChIKeyWBUXNYNXWZFQTF-UHFFFAOYSA-N
XLogP1.78
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 methanedithiol;methylsulfanylmethane?
The IUPAC name of methanedithiol;methylsulfanylmethane (CID 161461076) is methanedithiol;methylsulfanylmethane.
What is the SMILES notation for methanedithiol;methylsulfanylmethane?
The canonical SMILES for methanedithiol;methylsulfanylmethane is CSC.SCS.
What is the InChIKey of methanedithiol;methylsulfanylmethane?
The InChIKey is WBUXNYNXWZFQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S.CH4S2/c1-3-2;2-1-3/h1-2H3;2-3H,1H2.
What are the key properties of methanedithiol;methylsulfanylmethane?
methanedithiol;methylsulfanylmethane has a molecular weight of 142.31 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanedithiol;methylsulfanylmethane is sourced from PubChem (CID 161461076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).