dipotassium 2-cyanoethyldithioimidocarbonate

C4H6K2N2S2 — CID 126957457

IUPAC—
SMILESN#CCCNC(=S)S.[K].[K]
InChIInChI=1S/C4H6N2S2.2K/c5-2-1-3-6-4(7)8;;/h1,3H2,(H2,6,7,8);;
InChIKeyRODJYCVLBNQHND-UHFFFAOYSA-N
MW224.44 g/mol
LogP-0.06
Rot. Bonds2

About dipotassium 2-cyanoethyldithioimidocarbonate

dipotassium 2-cyanoethyldithioimidocarbonate (PubChem CID 126957457) has the molecular formula C4H6K2N2S2 and a molecular weight of 224.44 g/mol.

Molecular Properties

Compound Namedipotassium 2-cyanoethyldithioimidocarbonate
PubChem CID126957457
Molecular FormulaC4H6K2N2S2
Molecular Weight224.44 g/mol
Exact Mass223.92
IUPAC Name—
SMILESN#CCCNC(=S)S.[K].[K]
InChIInChI=1S/C4H6N2S2.2K/c5-2-1-3-6-4(7)8;;/h1,3H2,(H2,6,7,8);;
InChIKeyRODJYCVLBNQHND-UHFFFAOYSA-N
XLogP-0.06
TPSA35.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.44
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(dithiocarboxyamino)ethylcarbamodithioic acid;formonitrile
CID 174889042
1-amino-3-(2-cyanoethyl)thiourea
CID 55280354
2-(dithiocarboxyamino)ethylcarbamodithioic acid;phosphoric acid
CID 172780597
2-(methylamino)ethylcarbamodithioic acid
CID 90890805
3-(2-cyanoethylamino)propanenitrile
CID 160846337
ethylcarbamodithioic acid;hydrate
CID 88596590
1-(2-cyanoethyl)-3-ethylurea
CID 60971056
1-(2-cyanoethyl)-3-[(4-methoxyphenyl)methyl]thiourea
CID 8678641
38-hydroxyoctatriacontylcarbamodithioic acid
CID 87690726
34-hydroxytetratriacontylcarbamodithioic acid
CID 87691023
13-sulfanyltridecylcarbamodithioic acid
CID 87691149
15-sulfanylpentadecylcarbamodithioic acid
CID 87691390

Frequently Asked Questions

What is the IUPAC name of dipotassium 2-cyanoethyldithioimidocarbonate?
The IUPAC name of dipotassium 2-cyanoethyldithioimidocarbonate (CID 126957457) is not available.
What is the SMILES notation for dipotassium 2-cyanoethyldithioimidocarbonate?
The canonical SMILES for dipotassium 2-cyanoethyldithioimidocarbonate is N#CCCNC(=S)S.[K].[K].
What is the InChIKey of dipotassium 2-cyanoethyldithioimidocarbonate?
The InChIKey is RODJYCVLBNQHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S2.2K/c5-2-1-3-6-4(7)8;;/h1,3H2,(H2,6,7,8);;.
What are the key properties of dipotassium 2-cyanoethyldithioimidocarbonate?
dipotassium 2-cyanoethyldithioimidocarbonate has a molecular weight of 224.44 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium 2-cyanoethyldithioimidocarbonate is sourced from PubChem (CID 126957457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).