bismuthane;bis(O-methyl carbamothioate)

C4H13BiN2O2S2 — CID 172996022

IUPACbismuthane;bis(O-methyl carbamothioate)
SMILESCOC(N)=S.COC(N)=S.[BiH3]
InChIInChI=1S/2C2H5NOS.Bi.3H/c2*1-4-2(3)5;;;;/h2*1H3,(H2,3,5);;;;
InChIKeyKUFWERJFDOJTBR-UHFFFAOYSA-N
MW394.27 g/mol
LogP-1.43
Rot. Bonds

About bismuthane;bis(O-methyl carbamothioate)

bismuthane;bis(O-methyl carbamothioate) (PubChem CID 172996022) has the molecular formula C4H13BiN2O2S2 and a molecular weight of 394.27 g/mol. Its IUPAC name is bismuthane;bis(O-methyl carbamothioate).

Molecular Properties

Compound Namebismuthane;bis(O-methyl carbamothioate)
PubChem CID172996022
Molecular FormulaC4H13BiN2O2S2
Molecular Weight394.27 g/mol
Exact Mass394.02
IUPAC Namebismuthane;bis(O-methyl carbamothioate)
SMILESCOC(N)=S.COC(N)=S.[BiH3]
InChIInChI=1S/2C2H5NOS.Bi.3H/c2*1-4-2(3)5;;;;/h2*1H3,(H2,3,5);;;;
InChIKeyKUFWERJFDOJTBR-UHFFFAOYSA-N
XLogP-1.43
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 5-1.43
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 bismuthane;bis(O-methyl carbamothioate)?
The IUPAC name of bismuthane;bis(O-methyl carbamothioate) (CID 172996022) is bismuthane;bis(O-methyl carbamothioate).
What is the SMILES notation for bismuthane;bis(O-methyl carbamothioate)?
The canonical SMILES for bismuthane;bis(O-methyl carbamothioate) is COC(N)=S.COC(N)=S.[BiH3].
What is the InChIKey of bismuthane;bis(O-methyl carbamothioate)?
The InChIKey is KUFWERJFDOJTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5NOS.Bi.3H/c2*1-4-2(3)5;;;;/h2*1H3,(H2,3,5);;;;.
What are the key properties of bismuthane;bis(O-methyl carbamothioate)?
bismuthane;bis(O-methyl carbamothioate) has a molecular weight of 394.27 g/mol, XLogP of -1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bismuthane;bis(O-methyl carbamothioate) is sourced from PubChem (CID 172996022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).