trimethylsulfanium

C3H9S+ — CID 1147

IUPACtrimethylsulfanium
SMILESC[S+](C)C
InChIInChI=1S/C3H9S/c1-4(2)3/h1-3H3/q+1
InChIKeyNRZWQKGABZFFKE-UHFFFAOYSA-N
MW77.17 g/mol
LogP0.49
Rot. Bonds

About trimethylsulfanium

trimethylsulfanium (PubChem CID 1147) has the molecular formula C3H9S+ and a molecular weight of 77.17 g/mol. Its IUPAC name is trimethylsulfanium.

Molecular Properties

Compound Nametrimethylsulfanium
PubChem CID1147
Molecular FormulaC3H9S+
Molecular Weight77.17 g/mol
Exact Mass77.04
IUPAC Nametrimethylsulfanium
SMILESC[S+](C)C
InChIInChI=1S/C3H9S/c1-4(2)3/h1-3H3/q+1
InChIKeyNRZWQKGABZFFKE-UHFFFAOYSA-N
XLogP0.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.17
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsulfanium?
The IUPAC name of trimethylsulfanium (CID 1147) is trimethylsulfanium.
What is the SMILES notation for trimethylsulfanium?
The canonical SMILES for trimethylsulfanium is C[S+](C)C.
What is the InChIKey of trimethylsulfanium?
The InChIKey is NRZWQKGABZFFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9S/c1-4(2)3/h1-3H3/q+1.
What are the key properties of trimethylsulfanium?
trimethylsulfanium has a molecular weight of 77.17 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsulfanium is sourced from PubChem (CID 1147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).