potassium N-(2,2-diphenylethyl)carbamodithioate

C15H14KNS2 — CID 118002366

IUPACpotassium N-(2,2-diphenylethyl)carbamodithioate
SMILESS=C([S-])NCC(c1ccccc1)c1ccccc1.[K+]
InChIInChI=1S/C15H15NS2.K/c17-15(18)16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2,(H2,16,17,18);/q;+1/p-1
InChIKeyLGACKRNVRKGBGT-UHFFFAOYSA-M
MW311.52 g/mol
LogP0.24
Rot. Bonds4

About potassium N-(2,2-diphenylethyl)carbamodithioate

potassium N-(2,2-diphenylethyl)carbamodithioate (PubChem CID 118002366) has the molecular formula C15H14KNS2 and a molecular weight of 311.52 g/mol. Its IUPAC name is potassium N-(2,2-diphenylethyl)carbamodithioate.

Molecular Properties

Compound Namepotassium N-(2,2-diphenylethyl)carbamodithioate
PubChem CID118002366
Molecular FormulaC15H14KNS2
Molecular Weight311.52 g/mol
Exact Mass311.02
IUPAC Namepotassium N-(2,2-diphenylethyl)carbamodithioate
SMILESS=C([S-])NCC(c1ccccc1)c1ccccc1.[K+]
InChIInChI=1S/C15H15NS2.K/c17-15(18)16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2,(H2,16,17,18);/q;+1/p-1
InChIKeyLGACKRNVRKGBGT-UHFFFAOYSA-M
XLogP0.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.52
LogP ≤ 50.24
H-Bond Donors ≤ 51
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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Related Compounds

potassium N-(1-phenylethyl)carbamodithioate
CID 23667328
1-(2,2-diphenylethyl)-3-[3-[6-[3-(2,2-diphenylethylcarbamothioylamino)propylamino]hexylamino]propyl]thiourea
CID 54757511
1-(2,2-diphenylethyl)-3-(2-iodophenyl)thiourea
CID 3252707
1-(2,2-diphenylethyl)-3-[3-[4-[3-(2,2-diphenylethylcarbamothioylamino)propylamino]butylamino]propyl]thiourea;methane
CID 158302343
1-(2,2-diphenylethyl)-3-ethylurea
CID 47133841
N-(2,2-diphenylethyl)-2,2,2-trifluoroacetamide
CID 59644379
1-(4-tert-butylphenyl)-3-(2,2-diphenylethyl)thiourea
CID 3281911
1-(2,2-diphenylethyl)-3-(4-nitrophenyl)thiourea
CID 8658929
4-N-(2,2-diphenylethyl)benzene-1,4-dicarboxamide
CID 30870123
(2S)-2-(2,2-diphenylethylcarbamoylamino)propanoic acid
CID 2005904
N-(2,2-diphenylethyl)-2-(4-hydroxyphenyl)acetamide
CID 78806805
methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate
CID 10658734

Frequently Asked Questions

What is the IUPAC name of potassium N-(2,2-diphenylethyl)carbamodithioate?
The IUPAC name of potassium N-(2,2-diphenylethyl)carbamodithioate (CID 118002366) is potassium N-(2,2-diphenylethyl)carbamodithioate.
What is the SMILES notation for potassium N-(2,2-diphenylethyl)carbamodithioate?
The canonical SMILES for potassium N-(2,2-diphenylethyl)carbamodithioate is S=C([S-])NCC(c1ccccc1)c1ccccc1.[K+].
What is the InChIKey of potassium N-(2,2-diphenylethyl)carbamodithioate?
The InChIKey is LGACKRNVRKGBGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15NS2.K/c17-15(18)16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2,(H2,16,17,18);/q;+1/p-1.
What are the key properties of potassium N-(2,2-diphenylethyl)carbamodithioate?
potassium N-(2,2-diphenylethyl)carbamodithioate has a molecular weight of 311.52 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(2,2-diphenylethyl)carbamodithioate is sourced from PubChem (CID 118002366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).