methane;S-methyl N-methylcarbamothioate

C4H11NOS — CID 157274108

IUPACmethane;S-methyl N-methylcarbamothioate
SMILESC.CNC(=O)SC
InChIInChI=1S/C3H7NOS.CH4/c1-4-3(5)6-2;/h1-2H3,(H,4,5);1H4
InChIKeyAYWPRJLBPJUHTH-UHFFFAOYSA-N
MW121.20 g/mol
LogP1.32
Rot. Bonds

About methane;S-methyl N-methylcarbamothioate

methane;S-methyl N-methylcarbamothioate (PubChem CID 157274108) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is methane;S-methyl N-methylcarbamothioate.

Molecular Properties

Compound Namemethane;S-methyl N-methylcarbamothioate
PubChem CID157274108
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Namemethane;S-methyl N-methylcarbamothioate
SMILESC.CNC(=O)SC
InChIInChI=1S/C3H7NOS.CH4/c1-4-3(5)6-2;/h1-2H3,(H,4,5);1H4
InChIKeyAYWPRJLBPJUHTH-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methane;S-methyl N-methylcarbamothioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;S-methyl N-methylcarbamothioate?
The IUPAC name of methane;S-methyl N-methylcarbamothioate (CID 157274108) is methane;S-methyl N-methylcarbamothioate.
What is the SMILES notation for methane;S-methyl N-methylcarbamothioate?
The canonical SMILES for methane;S-methyl N-methylcarbamothioate is C.CNC(=O)SC.
What is the InChIKey of methane;S-methyl N-methylcarbamothioate?
The InChIKey is AYWPRJLBPJUHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS.CH4/c1-4-3(5)6-2;/h1-2H3,(H,4,5);1H4.
What are the key properties of methane;S-methyl N-methylcarbamothioate?
methane;S-methyl N-methylcarbamothioate has a molecular weight of 121.20 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;S-methyl N-methylcarbamothioate is sourced from PubChem (CID 157274108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).