sodium;oxido thiocyanate;phosphate

CNNaO5PS-3 — CID 71548576

IUPACsodium;oxido thiocyanate;phosphate
SMILESN#CS[O-].O=P([O-])([O-])[O-].[Na+]
InChIInChI=1S/CHNOS.Na.H3O4P/c2-1-4-3;;1-5(2,3)4/h3H;;(H3,1,2,3,4)/q;+1;/p-4
InChIKeyBDSVPEMOJYFIBQ-UHFFFAOYSA-J
MW192.04 g/mol
LogP-5.49
Rot. Bonds

About sodium;oxido thiocyanate;phosphate

sodium;oxido thiocyanate;phosphate (PubChem CID 71548576) has the molecular formula CNNaO5PS-3 and a molecular weight of 192.04 g/mol. Its IUPAC name is sodium;oxido thiocyanate;phosphate.

Molecular Properties

Compound Namesodium;oxido thiocyanate;phosphate
PubChem CID71548576
Molecular FormulaCNNaO5PS-3
Molecular Weight192.04 g/mol
Exact Mass191.91
IUPAC Namesodium;oxido thiocyanate;phosphate
SMILESN#CS[O-].O=P([O-])([O-])[O-].[Na+]
InChIInChI=1S/CHNOS.Na.H3O4P/c2-1-4-3;;1-5(2,3)4/h3H;;(H3,1,2,3,4)/q;+1;/p-4
InChIKeyBDSVPEMOJYFIBQ-UHFFFAOYSA-J
XLogP-5.49
TPSA133.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 5-5.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze sodium;oxido thiocyanate;phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trisodium;phosphate;dodecahydrate
CID 516998
trisodium;phosphate;pentahydrate
CID 19993446
sodium;acetonitrile;hydron;phosphate
CID 173290031
sodium phosphate
CID 21225609
heptasodium;phosphate
CID 159686031
phosphate octahydrate
CID 22485829
trisodium;dodecakis(molybdenum(4+));(oxygen(2-));phosphate;dodecahydrate
CID 170850432
tripotassium;acetonitrile;phosphate
CID 162129988
azanium;sodium;phosphate
CID 22506365
tetrapotassium;sodium;phosphate
CID 172696103
tris(iron(2+));diphosphate;dihydrate
CID 162235567
octacalcium;phosphate;pentahydrate
CID 22051766

Frequently Asked Questions

What is the IUPAC name of sodium;oxido thiocyanate;phosphate?
The IUPAC name of sodium;oxido thiocyanate;phosphate (CID 71548576) is sodium;oxido thiocyanate;phosphate.
What is the SMILES notation for sodium;oxido thiocyanate;phosphate?
The canonical SMILES for sodium;oxido thiocyanate;phosphate is N#CS[O-].O=P([O-])([O-])[O-].[Na+].
What is the InChIKey of sodium;oxido thiocyanate;phosphate?
The InChIKey is BDSVPEMOJYFIBQ-UHFFFAOYSA-J. The full InChI is InChI=1S/CHNOS.Na.H3O4P/c2-1-4-3;;1-5(2,3)4/h3H;;(H3,1,2,3,4)/q;+1;/p-4.
What are the key properties of sodium;oxido thiocyanate;phosphate?
sodium;oxido thiocyanate;phosphate has a molecular weight of 192.04 g/mol, XLogP of -5.49, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;oxido thiocyanate;phosphate is sourced from PubChem (CID 71548576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).