5-cyclohexyl-1,3,5-triazinane-2-thione

C9H17N3S — CID 775005

IUPAC5-cyclohexyl-1,3,5-triazinane-2-thione
SMILESS=C1NCN(C2CCCCC2)CN1
InChIInChI=1S/C9H17N3S/c13-9-10-6-12(7-11-9)8-4-2-1-3-5-8/h8H,1-7H2,(H2,10,11,13)
InChIKeyNYIFUCGHCMSJJP-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.01
Rot. Bonds1

About 5-cyclohexyl-1,3,5-triazinane-2-thione

5-cyclohexyl-1,3,5-triazinane-2-thione (PubChem CID 775005) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-cyclohexyl-1,3,5-triazinane-2-thione.

Molecular Properties

Compound Name5-cyclohexyl-1,3,5-triazinane-2-thione
PubChem CID775005
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-cyclohexyl-1,3,5-triazinane-2-thione
SMILESS=C1NCN(C2CCCCC2)CN1
InChIInChI=1S/C9H17N3S/c13-9-10-6-12(7-11-9)8-4-2-1-3-5-8/h8H,1-7H2,(H2,10,11,13)
InChIKeyNYIFUCGHCMSJJP-UHFFFAOYSA-N
XLogP1.01
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,3,5-triazinane-2-thione?
The IUPAC name of 5-cyclohexyl-1,3,5-triazinane-2-thione (CID 775005) is 5-cyclohexyl-1,3,5-triazinane-2-thione.
What is the SMILES notation for 5-cyclohexyl-1,3,5-triazinane-2-thione?
The canonical SMILES for 5-cyclohexyl-1,3,5-triazinane-2-thione is S=C1NCN(C2CCCCC2)CN1.
What is the InChIKey of 5-cyclohexyl-1,3,5-triazinane-2-thione?
The InChIKey is NYIFUCGHCMSJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c13-9-10-6-12(7-11-9)8-4-2-1-3-5-8/h8H,1-7H2,(H2,10,11,13).
What are the key properties of 5-cyclohexyl-1,3,5-triazinane-2-thione?
5-cyclohexyl-1,3,5-triazinane-2-thione has a molecular weight of 199.32 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,3,5-triazinane-2-thione is sourced from PubChem (CID 775005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).