bis(O-methyl carbamothioate);zinc

C4H10N2O2S2Zn — CID 87061221

IUPACbis(O-methyl carbamothioate);zinc
SMILESCOC(N)=S.COC(N)=S.[Zn]
InChIInChI=1S/2C2H5NOS.Zn/c2*1-4-2(3)5;/h2*1H3,(H2,3,5);
InChIKeySPXAUSFKGKGLFX-UHFFFAOYSA-N
MW247.66 g/mol
LogP-0.25
Rot. Bonds

About bis(O-methyl carbamothioate);zinc

bis(O-methyl carbamothioate);zinc (PubChem CID 87061221) has the molecular formula C4H10N2O2S2Zn and a molecular weight of 247.66 g/mol. Its IUPAC name is bis(O-methyl carbamothioate);zinc.

Molecular Properties

Compound Namebis(O-methyl carbamothioate);zinc
PubChem CID87061221
Molecular FormulaC4H10N2O2S2Zn
Molecular Weight247.66 g/mol
Exact Mass245.95
IUPAC Namebis(O-methyl carbamothioate);zinc
SMILESCOC(N)=S.COC(N)=S.[Zn]
InChIInChI=1S/2C2H5NOS.Zn/c2*1-4-2(3)5;/h2*1H3,(H2,3,5);
InChIKeySPXAUSFKGKGLFX-UHFFFAOYSA-N
XLogP-0.25
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(O-methyl carbamothioate);zinc?
The IUPAC name of bis(O-methyl carbamothioate);zinc (CID 87061221) is bis(O-methyl carbamothioate);zinc.
What is the SMILES notation for bis(O-methyl carbamothioate);zinc?
The canonical SMILES for bis(O-methyl carbamothioate);zinc is COC(N)=S.COC(N)=S.[Zn].
What is the InChIKey of bis(O-methyl carbamothioate);zinc?
The InChIKey is SPXAUSFKGKGLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5NOS.Zn/c2*1-4-2(3)5;/h2*1H3,(H2,3,5);.
What are the key properties of bis(O-methyl carbamothioate);zinc?
bis(O-methyl carbamothioate);zinc has a molecular weight of 247.66 g/mol, XLogP of -0.25, 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);zinc is sourced from PubChem (CID 87061221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).