sulfanylidenemethylideneazanium

CH2NS+ — CID 3613247

IUPACsulfanylidenemethylideneazanium
SMILES[NH2+]=C=S
InChIInChI=1S/CHNS/c2-1-3/h2H/p+1
InChIKeyGRHBQAYDJPGGLF-UHFFFAOYSA-O
MW60.10 g/mol
LogP-1.15
Rot. Bonds

About sulfanylidenemethylideneazanium

sulfanylidenemethylideneazanium (PubChem CID 3613247) has the molecular formula CH2NS+ and a molecular weight of 60.10 g/mol. Its IUPAC name is sulfanylidenemethylideneazanium.

Molecular Properties

Compound Namesulfanylidenemethylideneazanium
PubChem CID3613247
Molecular FormulaCH2NS+
Molecular Weight60.10 g/mol
Exact Mass59.99
IUPAC Namesulfanylidenemethylideneazanium
SMILES[NH2+]=C=S
InChIInChI=1S/CHNS/c2-1-3/h2H/p+1
InChIKeyGRHBQAYDJPGGLF-UHFFFAOYSA-O
XLogP-1.15
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.10
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 sulfanylidenemethylideneazanium?
The IUPAC name of sulfanylidenemethylideneazanium (CID 3613247) is sulfanylidenemethylideneazanium.
What is the SMILES notation for sulfanylidenemethylideneazanium?
The canonical SMILES for sulfanylidenemethylideneazanium is [NH2+]=C=S.
What is the InChIKey of sulfanylidenemethylideneazanium?
The InChIKey is GRHBQAYDJPGGLF-UHFFFAOYSA-O. The full InChI is InChI=1S/CHNS/c2-1-3/h2H/p+1.
What are the key properties of sulfanylidenemethylideneazanium?
sulfanylidenemethylideneazanium has a molecular weight of 60.10 g/mol, XLogP of -1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanylidenemethylideneazanium is sourced from PubChem (CID 3613247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).