potassium N,N-dimethylcarbamodithioate

C3H6KNS2 — CID 23662387

IUPACpotassium N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)[S-].[K+]
InChIInChI=1S/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
InChIKeyTVPFLPJBESCUKI-UHFFFAOYSA-M
MW159.32 g/mol
LogP-2.62
Rot. Bonds

About potassium N,N-dimethylcarbamodithioate

potassium N,N-dimethylcarbamodithioate (PubChem CID 23662387) has the molecular formula C3H6KNS2 and a molecular weight of 159.32 g/mol. Its IUPAC name is potassium N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namepotassium N,N-dimethylcarbamodithioate
PubChem CID23662387
Molecular FormulaC3H6KNS2
Molecular Weight159.32 g/mol
Exact Mass158.96
IUPAC Namepotassium N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)[S-].[K+]
InChIInChI=1S/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
InChIKeyTVPFLPJBESCUKI-UHFFFAOYSA-M
XLogP-2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.32
LogP ≤ 5-2.62
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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Related Compounds

tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)
CID 174384958
disodium bis(N,N-dimethylcarbamodithioate)
CID 160761819
zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide
CID 22294344
carbamodithioic acid;tris(N,N-dimethylcarbamodithioate);iron(3+)
CID 173018200
sodium N-methyl-N-sulfanylcarbamodithioate
CID 172812180
zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate
CID 149053660
dimethylamino(sulfanylidene)methanesulfinate;bis(N,N-dimethylcarbamodithioate);iron(3+)
CID 134094508
potassium ethanedithioate
CID 21335195
potassium N-methyl-N-(methylaminomethyl)carbamodithioate
CID 172768730
potassium N,N-di(propan-2-yl)carbamodithioate
CID 23667683
N,N-dimethylcarbamodithioate;trioctylstannanylium
CID 20561757
carbon monoxide;bis(N,N-dimethylcarbamodithioate);[di(propan-2-yl)amino]methylidenetungsten
CID 10974000

Frequently Asked Questions

What is the IUPAC name of potassium N,N-dimethylcarbamodithioate?
The IUPAC name of potassium N,N-dimethylcarbamodithioate (CID 23662387) is potassium N,N-dimethylcarbamodithioate.
What is the SMILES notation for potassium N,N-dimethylcarbamodithioate?
The canonical SMILES for potassium N,N-dimethylcarbamodithioate is CN(C)C(=S)[S-].[K+].
What is the InChIKey of potassium N,N-dimethylcarbamodithioate?
The InChIKey is TVPFLPJBESCUKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1.
What are the key properties of potassium N,N-dimethylcarbamodithioate?
potassium N,N-dimethylcarbamodithioate has a molecular weight of 159.32 g/mol, XLogP of -2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N,N-dimethylcarbamodithioate is sourced from PubChem (CID 23662387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).