potassium cyclohexylmethoxymethanedithioate

C8H13KOS2 — CID 143816375

IUPACpotassium cyclohexylmethoxymethanedithioate
SMILESS=C([S-])OCC1CCCCC1.[K+]
InChIInChI=1S/C8H14OS2.K/c10-8(11)9-6-7-4-2-1-3-5-7;/h7H,1-6H2,(H,10,11);/q;+1/p-1
InChIKeyAIGJAJBLZRPXQA-UHFFFAOYSA-M
MW228.42 g/mol
LogP-0.58
Rot. Bonds2

About potassium cyclohexylmethoxymethanedithioate

potassium cyclohexylmethoxymethanedithioate (PubChem CID 143816375) has the molecular formula C8H13KOS2 and a molecular weight of 228.42 g/mol. Its IUPAC name is potassium cyclohexylmethoxymethanedithioate.

Molecular Properties

Compound Namepotassium cyclohexylmethoxymethanedithioate
PubChem CID143816375
Molecular FormulaC8H13KOS2
Molecular Weight228.42 g/mol
Exact Mass228.00
IUPAC Namepotassium cyclohexylmethoxymethanedithioate
SMILESS=C([S-])OCC1CCCCC1.[K+]
InChIInChI=1S/C8H14OS2.K/c10-8(11)9-6-7-4-2-1-3-5-7;/h7H,1-6H2,(H,10,11);/q;+1/p-1
InChIKeyAIGJAJBLZRPXQA-UHFFFAOYSA-M
XLogP-0.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

cyclohexylmethoxymethylcyclohexane;hydroxylamine
CID 67759423
4-(cyclopentylmethoxy)butanethioamide
CID 66323487
potassium cyclodecyloxymethanedithioate
CID 157247255
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
1,3-bis(cyclohexylmethoxy)-1,3-dioxopropane-2-sulfonic acid
CID 139504178
(cyclohexylmethylamino)thiourea
CID 90036108
cyclohexylmethyl 2-oxoacetate
CID 174782114
cycloheptylmethyl N-methylcarbamate
CID 57322822
cyclohexylmethyl N,N-dimethylcarbamate
CID 12696074
3-(cyclohexylmethoxy)-3-oxopropanoic acid
CID 19378623
2-cyclohexylethanethioamide
CID 18755158
cyclohexylmethyl 2-amino-2-cyclohexylacetate
CID 62383818

Frequently Asked Questions

What is the IUPAC name of potassium cyclohexylmethoxymethanedithioate?
The IUPAC name of potassium cyclohexylmethoxymethanedithioate (CID 143816375) is potassium cyclohexylmethoxymethanedithioate.
What is the SMILES notation for potassium cyclohexylmethoxymethanedithioate?
The canonical SMILES for potassium cyclohexylmethoxymethanedithioate is S=C([S-])OCC1CCCCC1.[K+].
What is the InChIKey of potassium cyclohexylmethoxymethanedithioate?
The InChIKey is AIGJAJBLZRPXQA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14OS2.K/c10-8(11)9-6-7-4-2-1-3-5-7;/h7H,1-6H2,(H,10,11);/q;+1/p-1.
What are the key properties of potassium cyclohexylmethoxymethanedithioate?
potassium cyclohexylmethoxymethanedithioate has a molecular weight of 228.42 g/mol, XLogP of -0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium cyclohexylmethoxymethanedithioate is sourced from PubChem (CID 143816375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).