phosphorosocarbamothioylazanium

CH4N2OPS+ — CID 173390056

About phosphorosocarbamothioylazanium

phosphorosocarbamothioylazanium (PubChem CID 173390056) has the molecular formula CH4N2OPS+ and a molecular weight of 123.10 g/mol. Its IUPAC name is phosphorosocarbamothioylazanium.

Molecular Properties

• Compound Name: phosphorosocarbamothioylazanium
• PubChem CID: 173390056
• Molecular Formula: CH4N2OPS+
• Molecular Weight: 123.10 g/mol
• Exact Mass: 122.98
• IUPAC Name: phosphorosocarbamothioylazanium
• SMILES: [NH3+]C(=S)NP=O
• InChI: InChI=1S/CH3N2OPS/c2-1(6)3-5-4/h(H3,2,3,4,6)/p+1
• InChIKey: BNYCDGZQPQAFQO-UHFFFAOYSA-O
• XLogP: -0.69
• TPSA: 56.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	123.10
LogP ≤ 5	-0.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of phosphorosocarbamothioylazanium?

The IUPAC name of phosphorosocarbamothioylazanium (CID 173390056) is phosphorosocarbamothioylazanium.

What is the SMILES notation for phosphorosocarbamothioylazanium?

The canonical SMILES for phosphorosocarbamothioylazanium is [NH3+]C(=S)NP=O.

What is the InChIKey of phosphorosocarbamothioylazanium?

The InChIKey is BNYCDGZQPQAFQO-UHFFFAOYSA-O. The full InChI is InChI=1S/CH3N2OPS/c2-1(6)3-5-4/h(H3,2,3,4,6)/p+1.

What are the key properties of phosphorosocarbamothioylazanium?

phosphorosocarbamothioylazanium has a molecular weight of 123.10 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for phosphorosocarbamothioylazanium is sourced from PubChem (CID 173390056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).