methane;bis(O-methyl carbamothioate)

C6H18N2O2S2 — CID 173112936

IUPACmethane;bis(O-methyl carbamothioate)
SMILESC.C.COC(N)=S.COC(N)=S
InChIInChI=1S/2C2H5NOS.2CH4/c2*1-4-2(3)5;;/h2*1H3,(H2,3,5);2*1H4
InChIKeyWOWKLNZKYMMZNM-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.02
Rot. Bonds

About methane;bis(O-methyl carbamothioate)

methane;bis(O-methyl carbamothioate) (PubChem CID 173112936) has the molecular formula C6H18N2O2S2 and a molecular weight of 214.36 g/mol. Its IUPAC name is methane;bis(O-methyl carbamothioate).

Molecular Properties

Compound Namemethane;bis(O-methyl carbamothioate)
PubChem CID173112936
Molecular FormulaC6H18N2O2S2
Molecular Weight214.36 g/mol
Exact Mass214.08
IUPAC Namemethane;bis(O-methyl carbamothioate)
SMILESC.C.COC(N)=S.COC(N)=S
InChIInChI=1S/2C2H5NOS.2CH4/c2*1-4-2(3)5;;/h2*1H3,(H2,3,5);2*1H4
InChIKeyWOWKLNZKYMMZNM-UHFFFAOYSA-N
XLogP1.02
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)?
The IUPAC name of methane;bis(O-methyl carbamothioate) (CID 173112936) is methane;bis(O-methyl carbamothioate).
What is the SMILES notation for methane;bis(O-methyl carbamothioate)?
The canonical SMILES for methane;bis(O-methyl carbamothioate) is C.C.COC(N)=S.COC(N)=S.
What is the InChIKey of methane;bis(O-methyl carbamothioate)?
The InChIKey is WOWKLNZKYMMZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5NOS.2CH4/c2*1-4-2(3)5;;/h2*1H3,(H2,3,5);2*1H4.
What are the key properties of methane;bis(O-methyl carbamothioate)?
methane;bis(O-methyl carbamothioate) has a molecular weight of 214.36 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) is sourced from PubChem (CID 173112936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).