potassium N-cyclohexyl-N-methylcarbamodithioate

C8H14KNS2 — CID 139703213

IUPACpotassium N-cyclohexyl-N-methylcarbamodithioate
SMILESCN(C(=S)[S-])C1CCCCC1.[K+]
InChIInChI=1S/C8H15NS2.K/c1-9(8(10)11)7-5-3-2-4-6-7;/h7H,2-6H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyYMMPWKRMEIRYHY-UHFFFAOYSA-M
MW227.44 g/mol
LogP-0.91
Rot. Bonds1

About potassium N-cyclohexyl-N-methylcarbamodithioate

potassium N-cyclohexyl-N-methylcarbamodithioate (PubChem CID 139703213) has the molecular formula C8H14KNS2 and a molecular weight of 227.44 g/mol. Its IUPAC name is potassium N-cyclohexyl-N-methylcarbamodithioate.

Molecular Properties

Compound Namepotassium N-cyclohexyl-N-methylcarbamodithioate
PubChem CID139703213
Molecular FormulaC8H14KNS2
Molecular Weight227.44 g/mol
Exact Mass227.02
IUPAC Namepotassium N-cyclohexyl-N-methylcarbamodithioate
SMILESCN(C(=S)[S-])C1CCCCC1.[K+]
InChIInChI=1S/C8H15NS2.K/c1-9(8(10)11)7-5-3-2-4-6-7;/h7H,2-6H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyYMMPWKRMEIRYHY-UHFFFAOYSA-M
XLogP-0.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 5-0.91
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

N-cycloheptyl-N-methylcarbamothioyl chloride
CID 21434274
1-cycloheptyl-1,3-dimethylthiourea
CID 115576089
bis(N,N-dicyclohexylcarbamodithioate);molybdenum;disulfide
CID 173360149
potassium N-(1,1-dioxothiolan-3-yl)-N-methylcarbamodithioate
CID 2772232
3-amino-1-cyclopentyl-1-methylthiourea
CID 19847577
dicyclohexylazanium;N,N-dicyclohexylcarbamodithioate
CID 159574722
1-cyclooctyl-1-methylurea
CID 126989312
N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide
CID 4778356
N-cyclohexyl-N-methyl-2-oxopropanamide
CID 115175558
1-cycloheptyl-1-methyl-3-(2-methylpropyl)thiourea
CID 115576097
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
3-butyl-1-cyclohexyl-1-methylthiourea
CID 43835938

Frequently Asked Questions

What is the IUPAC name of potassium N-cyclohexyl-N-methylcarbamodithioate?
The IUPAC name of potassium N-cyclohexyl-N-methylcarbamodithioate (CID 139703213) is potassium N-cyclohexyl-N-methylcarbamodithioate.
What is the SMILES notation for potassium N-cyclohexyl-N-methylcarbamodithioate?
The canonical SMILES for potassium N-cyclohexyl-N-methylcarbamodithioate is CN(C(=S)[S-])C1CCCCC1.[K+].
What is the InChIKey of potassium N-cyclohexyl-N-methylcarbamodithioate?
The InChIKey is YMMPWKRMEIRYHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15NS2.K/c1-9(8(10)11)7-5-3-2-4-6-7;/h7H,2-6H2,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of potassium N-cyclohexyl-N-methylcarbamodithioate?
potassium N-cyclohexyl-N-methylcarbamodithioate has a molecular weight of 227.44 g/mol, XLogP of -0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-cyclohexyl-N-methylcarbamodithioate is sourced from PubChem (CID 139703213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).