methane;bis(O-methyl N-methylcarbamothioate)

C7H18N2O2S2 — CID 161405715

IUPACmethane;bis(O-methyl N-methylcarbamothioate)
SMILESC.CNC(=S)OC.CNC(=S)OC
InChIInChI=1S/2C3H7NOS.CH4/c2*1-4-3(6)5-2;/h2*1-2H3,(H,4,6);1H4
InChIKeyVUUQTUXXQRZMSH-UHFFFAOYSA-N
MW226.37 g/mol
LogP0.91
Rot. Bonds

About methane;bis(O-methyl N-methylcarbamothioate)

methane;bis(O-methyl N-methylcarbamothioate) (PubChem CID 161405715) has the molecular formula C7H18N2O2S2 and a molecular weight of 226.37 g/mol. Its IUPAC name is methane;bis(O-methyl N-methylcarbamothioate).

Molecular Properties

Compound Namemethane;bis(O-methyl N-methylcarbamothioate)
PubChem CID161405715
Molecular FormulaC7H18N2O2S2
Molecular Weight226.37 g/mol
Exact Mass226.08
IUPAC Namemethane;bis(O-methyl N-methylcarbamothioate)
SMILESC.CNC(=S)OC.CNC(=S)OC
InChIInChI=1S/2C3H7NOS.CH4/c2*1-4-3(6)5-2;/h2*1-2H3,(H,4,6);1H4
InChIKeyVUUQTUXXQRZMSH-UHFFFAOYSA-N
XLogP0.91
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methane;bis(O-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;bis(O-methyl N-methylcarbamothioate)?
The IUPAC name of methane;bis(O-methyl N-methylcarbamothioate) (CID 161405715) is methane;bis(O-methyl N-methylcarbamothioate).
What is the SMILES notation for methane;bis(O-methyl N-methylcarbamothioate)?
The canonical SMILES for methane;bis(O-methyl N-methylcarbamothioate) is C.CNC(=S)OC.CNC(=S)OC.
What is the InChIKey of methane;bis(O-methyl N-methylcarbamothioate)?
The InChIKey is VUUQTUXXQRZMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7NOS.CH4/c2*1-4-3(6)5-2;/h2*1-2H3,(H,4,6);1H4.
What are the key properties of methane;bis(O-methyl N-methylcarbamothioate)?
methane;bis(O-methyl N-methylcarbamothioate) has a molecular weight of 226.37 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(O-methyl N-methylcarbamothioate) is sourced from PubChem (CID 161405715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).