methanethiol;methylsulfanylmethane

C3H10S2 — CID 87075470

IUPACmethanethiol;methylsulfanylmethane
SMILESCS.CSC
InChIInChI=1S/C2H6S.CH4S/c1-3-2;1-2/h1-2H3;2H,1H3
InChIKeyMBYODUPYKTXQAC-UHFFFAOYSA-N
MW110.25 g/mol
LogP1.53
Rot. Bonds

About methanethiol;methylsulfanylmethane

methanethiol;methylsulfanylmethane (PubChem CID 87075470) has the molecular formula C3H10S2 and a molecular weight of 110.25 g/mol. Its IUPAC name is methanethiol;methylsulfanylmethane.

Molecular Properties

Compound Namemethanethiol;methylsulfanylmethane
PubChem CID87075470
Molecular FormulaC3H10S2
Molecular Weight110.25 g/mol
Exact Mass110.02
IUPAC Namemethanethiol;methylsulfanylmethane
SMILESCS.CSC
InChIInChI=1S/C2H6S.CH4S/c1-3-2;1-2/h1-2H3;2H,1H3
InChIKeyMBYODUPYKTXQAC-UHFFFAOYSA-N
XLogP1.53
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanethiol;methylsulfanylmethane?
The IUPAC name of methanethiol;methylsulfanylmethane (CID 87075470) is methanethiol;methylsulfanylmethane.
What is the SMILES notation for methanethiol;methylsulfanylmethane?
The canonical SMILES for methanethiol;methylsulfanylmethane is CS.CSC.
What is the InChIKey of methanethiol;methylsulfanylmethane?
The InChIKey is MBYODUPYKTXQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S.CH4S/c1-3-2;1-2/h1-2H3;2H,1H3.
What are the key properties of methanethiol;methylsulfanylmethane?
methanethiol;methylsulfanylmethane has a molecular weight of 110.25 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanethiol;methylsulfanylmethane is sourced from PubChem (CID 87075470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).