deuterioimino(sulfanylidene)methane

CHNS — CID 59123113

IUPACdeuterioimino(sulfanylidene)methane
SMILES[2H]N=C=S
InChIInChI=1S/CHNS/c2-1-3/h2H/i/hD
InChIKeyGRHBQAYDJPGGLF-DYCDLGHISA-N
MW60.10 g/mol
LogP0.67
Rot. Bonds

About deuterioimino(sulfanylidene)methane

deuterioimino(sulfanylidene)methane (PubChem CID 59123113) has the molecular formula CHNS and a molecular weight of 60.10 g/mol. Its IUPAC name is deuterioimino(sulfanylidene)methane.

Molecular Properties

Compound Namedeuterioimino(sulfanylidene)methane
PubChem CID59123113
Molecular FormulaCHNS
Molecular Weight60.10 g/mol
Exact Mass59.99
IUPAC Namedeuterioimino(sulfanylidene)methane
SMILES[2H]N=C=S
InChIInChI=1S/CHNS/c2-1-3/h2H/i/hD
InChIKeyGRHBQAYDJPGGLF-DYCDLGHISA-N
XLogP0.67
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.10
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deuterioimino(sulfanylidene)methane?
The IUPAC name of deuterioimino(sulfanylidene)methane (CID 59123113) is deuterioimino(sulfanylidene)methane.
What is the SMILES notation for deuterioimino(sulfanylidene)methane?
The canonical SMILES for deuterioimino(sulfanylidene)methane is [2H]N=C=S.
What is the InChIKey of deuterioimino(sulfanylidene)methane?
The InChIKey is GRHBQAYDJPGGLF-DYCDLGHISA-N. The full InChI is InChI=1S/CHNS/c2-1-3/h2H/i/hD.
What are the key properties of deuterioimino(sulfanylidene)methane?
deuterioimino(sulfanylidene)methane has a molecular weight of 60.10 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterioimino(sulfanylidene)methane is sourced from PubChem (CID 59123113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).