(carbamothioylamino)-oxo-sulfidophosphanium

CH3N2OPS2 — CID 137193508

IUPAC(carbamothioylamino)-oxo-sulfidophosphanium
SMILESNC(=S)N[P+](=O)[S-]
InChIInChI=1S/CH3N2OPS2/c2-1(6)3-5(4)7/h(H3,2,3,4,6,7)
InChIKeyMZMPUZSAJJUQKH-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.02
Rot. Bonds1

About (carbamothioylamino)-oxo-sulfidophosphanium

(carbamothioylamino)-oxo-sulfidophosphanium (PubChem CID 137193508) has the molecular formula CH3N2OPS2 and a molecular weight of 154.16 g/mol. Its IUPAC name is (carbamothioylamino)-oxo-sulfidophosphanium.

Molecular Properties

Compound Name(carbamothioylamino)-oxo-sulfidophosphanium
PubChem CID137193508
Molecular FormulaCH3N2OPS2
Molecular Weight154.16 g/mol
Exact Mass153.94
IUPAC Name(carbamothioylamino)-oxo-sulfidophosphanium
SMILESNC(=S)N[P+](=O)[S-]
InChIInChI=1S/CH3N2OPS2/c2-1(6)3-5(4)7/h(H3,2,3,4,6,7)
InChIKeyMZMPUZSAJJUQKH-UHFFFAOYSA-N
XLogP0.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (carbamothioylamino)-oxo-sulfidophosphanium?
The IUPAC name of (carbamothioylamino)-oxo-sulfidophosphanium (CID 137193508) is (carbamothioylamino)-oxo-sulfidophosphanium.
What is the SMILES notation for (carbamothioylamino)-oxo-sulfidophosphanium?
The canonical SMILES for (carbamothioylamino)-oxo-sulfidophosphanium is NC(=S)N[P+](=O)[S-].
What is the InChIKey of (carbamothioylamino)-oxo-sulfidophosphanium?
The InChIKey is MZMPUZSAJJUQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3N2OPS2/c2-1(6)3-5(4)7/h(H3,2,3,4,6,7).
What are the key properties of (carbamothioylamino)-oxo-sulfidophosphanium?
(carbamothioylamino)-oxo-sulfidophosphanium has a molecular weight of 154.16 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (carbamothioylamino)-oxo-sulfidophosphanium is sourced from PubChem (CID 137193508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).