methane;trimethylsulfanium

C4H13S+ — CID 158666266

IUPACmethane;trimethylsulfanium
SMILESC.C[S+](C)C
InChIInChI=1S/C3H9S.CH4/c1-4(2)3;/h1-3H3;1H4/q+1;
InChIKeyIDJUSLHACCHHRM-UHFFFAOYSA-N
MW93.21 g/mol
LogP1.13
Rot. Bonds

About methane;trimethylsulfanium

methane;trimethylsulfanium (PubChem CID 158666266) has the molecular formula C4H13S+ and a molecular weight of 93.21 g/mol. Its IUPAC name is methane;trimethylsulfanium.

Molecular Properties

Compound Namemethane;trimethylsulfanium
PubChem CID158666266
Molecular FormulaC4H13S+
Molecular Weight93.21 g/mol
Exact Mass93.07
IUPAC Namemethane;trimethylsulfanium
SMILESC.C[S+](C)C
InChIInChI=1S/C3H9S.CH4/c1-4(2)3;/h1-3H3;1H4/q+1;
InChIKeyIDJUSLHACCHHRM-UHFFFAOYSA-N
XLogP1.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.21
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methane;trimethylsulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 1147
CID 1147
CID 15839130
CID 15839130
CID 129089669
CID 129089669
CID 155570058
CID 155570058
CID 20073165
CID 20073165
CID 21409464
CID 21409464
CID 44609430
CID 44609430
CID 44818884
CID 44818884
CID 54486664
CID 54486664
CID 57248230
CID 57248230
CID 59945025
CID 59945025
CID 87789941
CID 87789941

Frequently Asked Questions

What is the IUPAC name of methane;trimethylsulfanium?
The IUPAC name of methane;trimethylsulfanium (CID 158666266) is methane;trimethylsulfanium.
What is the SMILES notation for methane;trimethylsulfanium?
The canonical SMILES for methane;trimethylsulfanium is C.C[S+](C)C.
What is the InChIKey of methane;trimethylsulfanium?
The InChIKey is IDJUSLHACCHHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9S.CH4/c1-4(2)3;/h1-3H3;1H4/q+1;.
What are the key properties of methane;trimethylsulfanium?
methane;trimethylsulfanium has a molecular weight of 93.21 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;trimethylsulfanium is sourced from PubChem (CID 158666266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).