methanidyl(sulfanyl)azanium

CH5NS — CID 172739267

IUPACmethanidyl(sulfanyl)azanium
SMILES[CH2-][NH2+]S
InChIInChI=1S/CH5NS/c1-2-3/h3H,1-2H2
InChIKeyMYCWBDBGHPDOEA-UHFFFAOYSA-N
MW63.12 g/mol
LogP-0.81
Rot. Bonds

About methanidyl(sulfanyl)azanium

methanidyl(sulfanyl)azanium (PubChem CID 172739267) has the molecular formula CH5NS and a molecular weight of 63.12 g/mol. Its IUPAC name is methanidyl(sulfanyl)azanium.

Molecular Properties

Compound Namemethanidyl(sulfanyl)azanium
PubChem CID172739267
Molecular FormulaCH5NS
Molecular Weight63.12 g/mol
Exact Mass63.01
IUPAC Namemethanidyl(sulfanyl)azanium
SMILES[CH2-][NH2+]S
InChIInChI=1S/CH5NS/c1-2-3/h3H,1-2H2
InChIKeyMYCWBDBGHPDOEA-UHFFFAOYSA-N
XLogP-0.81
TPSA16.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50063.12
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanidyl(sulfanyl)azanium?
The IUPAC name of methanidyl(sulfanyl)azanium (CID 172739267) is methanidyl(sulfanyl)azanium.
What is the SMILES notation for methanidyl(sulfanyl)azanium?
The canonical SMILES for methanidyl(sulfanyl)azanium is [CH2-][NH2+]S.
What is the InChIKey of methanidyl(sulfanyl)azanium?
The InChIKey is MYCWBDBGHPDOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5NS/c1-2-3/h3H,1-2H2.
What are the key properties of methanidyl(sulfanyl)azanium?
methanidyl(sulfanyl)azanium has a molecular weight of 63.12 g/mol, XLogP of -0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl(sulfanyl)azanium is sourced from PubChem (CID 172739267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).