formonitrile;bis(O-methyl carbamothioate)

C5H11N3O2S2 — CID 87460817

IUPACformonitrile;bis(O-methyl carbamothioate)
SMILESC#N.COC(N)=S.COC(N)=S
InChIInChI=1S/2C2H5NOS.CHN/c2*1-4-2(3)5;1-2/h2*1H3,(H2,3,5);1H
InChIKeyWIBARDHIWRHTIX-UHFFFAOYSA-N
MW209.30 g/mol
LogP-0.11
Rot. Bonds

About formonitrile;bis(O-methyl carbamothioate)

formonitrile;bis(O-methyl carbamothioate) (PubChem CID 87460817) has the molecular formula C5H11N3O2S2 and a molecular weight of 209.30 g/mol. Its IUPAC name is formonitrile;bis(O-methyl carbamothioate).

Molecular Properties

Compound Nameformonitrile;bis(O-methyl carbamothioate)
PubChem CID87460817
Molecular FormulaC5H11N3O2S2
Molecular Weight209.30 g/mol
Exact Mass209.03
IUPAC Nameformonitrile;bis(O-methyl carbamothioate)
SMILESC#N.COC(N)=S.COC(N)=S
InChIInChI=1S/2C2H5NOS.CHN/c2*1-4-2(3)5;1-2/h2*1H3,(H2,3,5);1H
InChIKeyWIBARDHIWRHTIX-UHFFFAOYSA-N
XLogP-0.11
TPSA94.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 formonitrile;bis(O-methyl carbamothioate)?
The IUPAC name of formonitrile;bis(O-methyl carbamothioate) (CID 87460817) is formonitrile;bis(O-methyl carbamothioate).
What is the SMILES notation for formonitrile;bis(O-methyl carbamothioate)?
The canonical SMILES for formonitrile;bis(O-methyl carbamothioate) is C#N.COC(N)=S.COC(N)=S.
What is the InChIKey of formonitrile;bis(O-methyl carbamothioate)?
The InChIKey is WIBARDHIWRHTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5NOS.CHN/c2*1-4-2(3)5;1-2/h2*1H3,(H2,3,5);1H.
What are the key properties of formonitrile;bis(O-methyl carbamothioate)?
formonitrile;bis(O-methyl carbamothioate) has a molecular weight of 209.30 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;bis(O-methyl carbamothioate) is sourced from PubChem (CID 87460817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).