potassium imidazole-1-carbodithioate

C4H3KN2S2 — CID 102210808

IUPACpotassium imidazole-1-carbodithioate
SMILESS=C([S-])n1ccnc1.[K+]
InChIInChI=1S/C4H4N2S2.K/c7-4(8)6-2-1-5-3-6;/h1-3H,(H,7,8);/q;+1/p-1
InChIKeyJXVMTTJOCVAMJL-UHFFFAOYSA-M
MW182.31 g/mol
LogP-2.43
Rot. Bonds

About potassium imidazole-1-carbodithioate

potassium imidazole-1-carbodithioate (PubChem CID 102210808) has the molecular formula C4H3KN2S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is potassium imidazole-1-carbodithioate.

Molecular Properties

Compound Namepotassium imidazole-1-carbodithioate
PubChem CID102210808
Molecular FormulaC4H3KN2S2
Molecular Weight182.31 g/mol
Exact Mass181.94
IUPAC Namepotassium imidazole-1-carbodithioate
SMILESS=C([S-])n1ccnc1.[K+]
InChIInChI=1S/C4H4N2S2.K/c7-4(8)6-2-1-5-3-6;/h1-3H,(H,7,8);/q;+1/p-1
InChIKeyJXVMTTJOCVAMJL-UHFFFAOYSA-M
XLogP-2.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 5-2.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-imidazol-1-ylpropane-1,2-dithione
CID 87350552
1-imidazol-1-yl-2-iodo-2-methylpropane-1-thione
CID 135197295
1-(1-fluoroethenyl)imidazole
CID 174960352
1-[(Z)-2-chloro-1,2-difluoroethenyl]imidazole
CID 119084004
1,6-di(imidazol-1-yl)hexane-1,6-dione
CID 14413796
imidazole-1-carboximidoyl bromide
CID 89319760
S-methyl imidazole-1-carbothioate
CID 59105486
potassium N-(3-imidazol-1-ylpropyl)carbamodithioate
CID 57326228
1-ethyl-3-(imidazole-1-carbothioylamino)thiourea
CID 11096406
1,12-di(imidazol-1-yl)dodecane-1,12-dione
CID 14413802
imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione
CID 135214447
imidazole-1-carboxamide;propan-2-ol
CID 121360857

Frequently Asked Questions

What is the IUPAC name of potassium imidazole-1-carbodithioate?
The IUPAC name of potassium imidazole-1-carbodithioate (CID 102210808) is potassium imidazole-1-carbodithioate.
What is the SMILES notation for potassium imidazole-1-carbodithioate?
The canonical SMILES for potassium imidazole-1-carbodithioate is S=C([S-])n1ccnc1.[K+].
What is the InChIKey of potassium imidazole-1-carbodithioate?
The InChIKey is JXVMTTJOCVAMJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2S2.K/c7-4(8)6-2-1-5-3-6;/h1-3H,(H,7,8);/q;+1/p-1.
What are the key properties of potassium imidazole-1-carbodithioate?
potassium imidazole-1-carbodithioate has a molecular weight of 182.31 g/mol, XLogP of -2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium imidazole-1-carbodithioate is sourced from PubChem (CID 102210808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).