phosphorosoimino(sulfanylidene)methane

CNOPS — CID 18914849

IUPACphosphorosoimino(sulfanylidene)methane
SMILESO=PN=C=S
InChIInChI=1S/CNOPS/c3-4-2-1-5
InChIKeySZWFGQJSXDSTCF-UHFFFAOYSA-N
MW105.06 g/mol
LogP1.30
Rot. Bonds1

About phosphorosoimino(sulfanylidene)methane

phosphorosoimino(sulfanylidene)methane (PubChem CID 18914849) has the molecular formula CNOPS and a molecular weight of 105.06 g/mol. Its IUPAC name is phosphorosoimino(sulfanylidene)methane.

Molecular Properties

Compound Namephosphorosoimino(sulfanylidene)methane
PubChem CID18914849
Molecular FormulaCNOPS
Molecular Weight105.06 g/mol
Exact Mass104.94
IUPAC Namephosphorosoimino(sulfanylidene)methane
SMILESO=PN=C=S
InChIInChI=1S/CNOPS/c3-4-2-1-5
InChIKeySZWFGQJSXDSTCF-UHFFFAOYSA-N
XLogP1.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.06
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phosphorosoimino(sulfanylidene)methane?
The IUPAC name of phosphorosoimino(sulfanylidene)methane (CID 18914849) is phosphorosoimino(sulfanylidene)methane.
What is the SMILES notation for phosphorosoimino(sulfanylidene)methane?
The canonical SMILES for phosphorosoimino(sulfanylidene)methane is O=PN=C=S.
What is the InChIKey of phosphorosoimino(sulfanylidene)methane?
The InChIKey is SZWFGQJSXDSTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/CNOPS/c3-4-2-1-5.
What are the key properties of phosphorosoimino(sulfanylidene)methane?
phosphorosoimino(sulfanylidene)methane has a molecular weight of 105.06 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphorosoimino(sulfanylidene)methane is sourced from PubChem (CID 18914849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).