potassium N-methyl-N-(methylaminomethyl)carbamodithioate

C4H9KN2S2 — CID 172768730

IUPACpotassium N-methyl-N-(methylaminomethyl)carbamodithioate
SMILESCNCN(C)C(=S)[S-].[K+]
InChIInChI=1S/C4H10N2S2.K/c1-5-3-6(2)4(7)8;/h5H,3H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyMQXOLRPBKLWGTJ-UHFFFAOYSA-M
MW188.36 g/mol
LogP-3.07
Rot. Bonds2

About potassium N-methyl-N-(methylaminomethyl)carbamodithioate

potassium N-methyl-N-(methylaminomethyl)carbamodithioate (PubChem CID 172768730) has the molecular formula C4H9KN2S2 and a molecular weight of 188.36 g/mol. Its IUPAC name is potassium N-methyl-N-(methylaminomethyl)carbamodithioate.

Molecular Properties

Compound Namepotassium N-methyl-N-(methylaminomethyl)carbamodithioate
PubChem CID172768730
Molecular FormulaC4H9KN2S2
Molecular Weight188.36 g/mol
Exact Mass187.98
IUPAC Namepotassium N-methyl-N-(methylaminomethyl)carbamodithioate
SMILESCNCN(C)C(=S)[S-].[K+]
InChIInChI=1S/C4H10N2S2.K/c1-5-3-6(2)4(7)8;/h5H,3H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyMQXOLRPBKLWGTJ-UHFFFAOYSA-M
XLogP-3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.36
LogP ≤ 5-3.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

copper bis(N-ethyl-N-methylcarbamodithioate)
CID 18793600
potassium N,N-dimethylcarbamodithioate
CID 23662387
tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)
CID 174384958
sodium 2-[methyl(sulfidocarbothioyl)amino]acetate
CID 102587922
N,N-dimethyl-2-(methylamino)ethanethioamide
CID 89279941
bis(N,N-diethylcarbamodithioate);tin(2+);chloride
CID 21124785
zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide
CID 22294344
sodium N-methyl-N-sulfanylcarbamodithioate
CID 172812180
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioate
CID 7059586
[[methyl(methylaminomethyl)amino]methylamino]methanol
CID 129163630
potassium ethanedithioate
CID 21335195
N,N-diethylcarbamodithioate
CID 28343

Frequently Asked Questions

What is the IUPAC name of potassium N-methyl-N-(methylaminomethyl)carbamodithioate?
The IUPAC name of potassium N-methyl-N-(methylaminomethyl)carbamodithioate (CID 172768730) is potassium N-methyl-N-(methylaminomethyl)carbamodithioate.
What is the SMILES notation for potassium N-methyl-N-(methylaminomethyl)carbamodithioate?
The canonical SMILES for potassium N-methyl-N-(methylaminomethyl)carbamodithioate is CNCN(C)C(=S)[S-].[K+].
What is the InChIKey of potassium N-methyl-N-(methylaminomethyl)carbamodithioate?
The InChIKey is MQXOLRPBKLWGTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N2S2.K/c1-5-3-6(2)4(7)8;/h5H,3H2,1-2H3,(H,7,8);/q;+1/p-1.
What are the key properties of potassium N-methyl-N-(methylaminomethyl)carbamodithioate?
potassium N-methyl-N-(methylaminomethyl)carbamodithioate has a molecular weight of 188.36 g/mol, XLogP of -3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-methyl-N-(methylaminomethyl)carbamodithioate is sourced from PubChem (CID 172768730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).