bis(O-methyl carbamothioate);hydroiodide

C4H11IN2O2S2 — CID 88706070

IUPACbis(O-methyl carbamothioate);hydroiodide
SMILESCOC(N)=S.COC(N)=S.I
InChIInChI=1S/2C2H5NOS.HI/c2*1-4-2(3)5;/h2*1H3,(H2,3,5);1H
InChIKeyPDMFWKXNOLVTOO-UHFFFAOYSA-N
MW310.18 g/mol
LogP0.37
Rot. Bonds

About bis(O-methyl carbamothioate);hydroiodide

bis(O-methyl carbamothioate);hydroiodide (PubChem CID 88706070) has the molecular formula C4H11IN2O2S2 and a molecular weight of 310.18 g/mol. Its IUPAC name is bis(O-methyl carbamothioate);hydroiodide.

Molecular Properties

Compound Namebis(O-methyl carbamothioate);hydroiodide
PubChem CID88706070
Molecular FormulaC4H11IN2O2S2
Molecular Weight310.18 g/mol
Exact Mass309.93
IUPAC Namebis(O-methyl carbamothioate);hydroiodide
SMILESCOC(N)=S.COC(N)=S.I
InChIInChI=1S/2C2H5NOS.HI/c2*1-4-2(3)5;/h2*1H3,(H2,3,5);1H
InChIKeyPDMFWKXNOLVTOO-UHFFFAOYSA-N
XLogP0.37
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(O-methyl carbamothioate);hydroiodide 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 bis(O-methyl carbamothioate);hydroiodide?
The IUPAC name of bis(O-methyl carbamothioate);hydroiodide (CID 88706070) is bis(O-methyl carbamothioate);hydroiodide.
What is the SMILES notation for bis(O-methyl carbamothioate);hydroiodide?
The canonical SMILES for bis(O-methyl carbamothioate);hydroiodide is COC(N)=S.COC(N)=S.I.
What is the InChIKey of bis(O-methyl carbamothioate);hydroiodide?
The InChIKey is PDMFWKXNOLVTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5NOS.HI/c2*1-4-2(3)5;/h2*1H3,(H2,3,5);1H.
What are the key properties of bis(O-methyl carbamothioate);hydroiodide?
bis(O-methyl carbamothioate);hydroiodide has a molecular weight of 310.18 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(O-methyl carbamothioate);hydroiodide is sourced from PubChem (CID 88706070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).