methylsulfanylmethane;tetramethylazanium

C6H18NS+ — CID 159225121

IUPACmethylsulfanylmethane;tetramethylazanium
SMILESCSC.C[N+](C)(C)C
InChIInChI=1S/C4H12N.C2H6S/c1-5(2,3)4;1-3-2/h1-4H3;1-2H3/q+1;
InChIKeyKSENCVMXPGIWNW-UHFFFAOYSA-N
MW136.28 g/mol
LogP1.30
Rot. Bonds

About methylsulfanylmethane;tetramethylazanium

methylsulfanylmethane;tetramethylazanium (PubChem CID 159225121) has the molecular formula C6H18NS+ and a molecular weight of 136.28 g/mol. Its IUPAC name is methylsulfanylmethane;tetramethylazanium.

Molecular Properties

Compound Namemethylsulfanylmethane;tetramethylazanium
PubChem CID159225121
Molecular FormulaC6H18NS+
Molecular Weight136.28 g/mol
Exact Mass136.12
IUPAC Namemethylsulfanylmethane;tetramethylazanium
SMILESCSC.C[N+](C)(C)C
InChIInChI=1S/C4H12N.C2H6S/c1-5(2,3)4;1-3-2/h1-4H3;1-2H3/q+1;
InChIKeyKSENCVMXPGIWNW-UHFFFAOYSA-N
XLogP1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethane;tetramethylazanium?
The IUPAC name of methylsulfanylmethane;tetramethylazanium (CID 159225121) is methylsulfanylmethane;tetramethylazanium.
What is the SMILES notation for methylsulfanylmethane;tetramethylazanium?
The canonical SMILES for methylsulfanylmethane;tetramethylazanium is CSC.C[N+](C)(C)C.
What is the InChIKey of methylsulfanylmethane;tetramethylazanium?
The InChIKey is KSENCVMXPGIWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.C2H6S/c1-5(2,3)4;1-3-2/h1-4H3;1-2H3/q+1;.
What are the key properties of methylsulfanylmethane;tetramethylazanium?
methylsulfanylmethane;tetramethylazanium has a molecular weight of 136.28 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethane;tetramethylazanium is sourced from PubChem (CID 159225121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).