methane;bis(O-methyl carbamothioate);zinc

C6H18N2O2S2Zn — CID 173148271

IUPACmethane;bis(O-methyl carbamothioate);zinc
SMILESC.C.COC(N)=S.COC(N)=S.[Zn]
InChIInChI=1S/2C2H5NOS.2CH4.Zn/c2*1-4-2(3)5;;;/h2*1H3,(H2,3,5);2*1H4;
InChIKeyCXUGZSFRPJNRGW-UHFFFAOYSA-N
MW279.75 g/mol
LogP1.02
Rot. Bonds

About methane;bis(O-methyl carbamothioate);zinc

methane;bis(O-methyl carbamothioate);zinc (PubChem CID 173148271) has the molecular formula C6H18N2O2S2Zn and a molecular weight of 279.75 g/mol. Its IUPAC name is methane;bis(O-methyl carbamothioate);zinc.

Molecular Properties

Compound Namemethane;bis(O-methyl carbamothioate);zinc
PubChem CID173148271
Molecular FormulaC6H18N2O2S2Zn
Molecular Weight279.75 g/mol
Exact Mass278.01
IUPAC Namemethane;bis(O-methyl carbamothioate);zinc
SMILESC.C.COC(N)=S.COC(N)=S.[Zn]
InChIInChI=1S/2C2H5NOS.2CH4.Zn/c2*1-4-2(3)5;;;/h2*1H3,(H2,3,5);2*1H4;
InChIKeyCXUGZSFRPJNRGW-UHFFFAOYSA-N
XLogP1.02
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 51.02
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 methane;bis(O-methyl carbamothioate);zinc?
The IUPAC name of methane;bis(O-methyl carbamothioate);zinc (CID 173148271) is methane;bis(O-methyl carbamothioate);zinc.
What is the SMILES notation for methane;bis(O-methyl carbamothioate);zinc?
The canonical SMILES for methane;bis(O-methyl carbamothioate);zinc is C.C.COC(N)=S.COC(N)=S.[Zn].
What is the InChIKey of methane;bis(O-methyl carbamothioate);zinc?
The InChIKey is CXUGZSFRPJNRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5NOS.2CH4.Zn/c2*1-4-2(3)5;;;/h2*1H3,(H2,3,5);2*1H4;.
What are the key properties of methane;bis(O-methyl carbamothioate);zinc?
methane;bis(O-methyl carbamothioate);zinc has a molecular weight of 279.75 g/mol, XLogP of 1.02, 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 carbamothioate);zinc is sourced from PubChem (CID 173148271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).