cyclohexylazanium;N-cyclohexylcarbamodithioate

C13H26N2S2 — CID 3032686

IUPACcyclohexylazanium;N-cyclohexylcarbamodithioate
SMILESS=C([S-])NC1CCCCC1.[NH3+]C1CCCCC1
InChIInChI=1S/C7H13NS2.C6H13N/c9-7(10)8-6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9,10);6H,1-5,7H2
InChIKeyJVFIYPNBHGUPJL-UHFFFAOYSA-N
MW274.50 g/mol
LogP2.30
Rot. Bonds1

About cyclohexylazanium;N-cyclohexylcarbamodithioate

cyclohexylazanium;N-cyclohexylcarbamodithioate (PubChem CID 3032686) has the molecular formula C13H26N2S2 and a molecular weight of 274.50 g/mol. Its IUPAC name is cyclohexylazanium;N-cyclohexylcarbamodithioate.

Molecular Properties

Compound Namecyclohexylazanium;N-cyclohexylcarbamodithioate
PubChem CID3032686
Molecular FormulaC13H26N2S2
Molecular Weight274.50 g/mol
Exact Mass274.15
IUPAC Namecyclohexylazanium;N-cyclohexylcarbamodithioate
SMILESS=C([S-])NC1CCCCC1.[NH3+]C1CCCCC1
InChIInChI=1S/C7H13NS2.C6H13N/c9-7(10)8-6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9,10);6H,1-5,7H2
InChIKeyJVFIYPNBHGUPJL-UHFFFAOYSA-N
XLogP2.30
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of cyclohexylazanium;N-cyclohexylcarbamodithioate?
The IUPAC name of cyclohexylazanium;N-cyclohexylcarbamodithioate (CID 3032686) is cyclohexylazanium;N-cyclohexylcarbamodithioate.
What is the SMILES notation for cyclohexylazanium;N-cyclohexylcarbamodithioate?
The canonical SMILES for cyclohexylazanium;N-cyclohexylcarbamodithioate is S=C([S-])NC1CCCCC1.[NH3+]C1CCCCC1.
What is the InChIKey of cyclohexylazanium;N-cyclohexylcarbamodithioate?
The InChIKey is JVFIYPNBHGUPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS2.C6H13N/c9-7(10)8-6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9,10);6H,1-5,7H2.
What are the key properties of cyclohexylazanium;N-cyclohexylcarbamodithioate?
cyclohexylazanium;N-cyclohexylcarbamodithioate has a molecular weight of 274.50 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylazanium;N-cyclohexylcarbamodithioate is sourced from PubChem (CID 3032686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).