potassium N,N-diphenylcarbamodithioate

C13H10KNS2 — CID 23672385

IUPACpotassium N,N-diphenylcarbamodithioate
SMILESS=C([S-])N(c1ccccc1)c1ccccc1.[K+]
InChIInChI=1S/C13H11NS2.K/c15-13(16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,15,16);/q;+1/p-1
InChIKeyFSSKPSVRKSLRDX-UHFFFAOYSA-M
MW283.46 g/mol
LogP0.66
Rot. Bonds2

About potassium N,N-diphenylcarbamodithioate

potassium N,N-diphenylcarbamodithioate (PubChem CID 23672385) has the molecular formula C13H10KNS2 and a molecular weight of 283.46 g/mol. Its IUPAC name is potassium N,N-diphenylcarbamodithioate.

Molecular Properties

Compound Namepotassium N,N-diphenylcarbamodithioate
PubChem CID23672385
Molecular FormulaC13H10KNS2
Molecular Weight283.46 g/mol
Exact Mass282.99
IUPAC Namepotassium N,N-diphenylcarbamodithioate
SMILESS=C([S-])N(c1ccccc1)c1ccccc1.[K+]
InChIInChI=1S/C13H11NS2.K/c15-13(16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,15,16);/q;+1/p-1
InChIKeyFSSKPSVRKSLRDX-UHFFFAOYSA-M
XLogP0.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 potassium N,N-diphenylcarbamodithioate?
The IUPAC name of potassium N,N-diphenylcarbamodithioate (CID 23672385) is potassium N,N-diphenylcarbamodithioate.
What is the SMILES notation for potassium N,N-diphenylcarbamodithioate?
The canonical SMILES for potassium N,N-diphenylcarbamodithioate is S=C([S-])N(c1ccccc1)c1ccccc1.[K+].
What is the InChIKey of potassium N,N-diphenylcarbamodithioate?
The InChIKey is FSSKPSVRKSLRDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11NS2.K/c15-13(16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,15,16);/q;+1/p-1.
What are the key properties of potassium N,N-diphenylcarbamodithioate?
potassium N,N-diphenylcarbamodithioate has a molecular weight of 283.46 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N,N-diphenylcarbamodithioate is sourced from PubChem (CID 23672385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).