3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione

C13H24N2S2 — CID 23884011

IUPAC3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione
SMILESCC(C)(C)N1CN(C2CCCCC2)CSC1=S
InChIInChI=1S/C13H24N2S2/c1-13(2,3)15-9-14(10-17-12(15)16)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3
InChIKeyUJWZZYBEPVMRMM-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.67
Rot. Bonds1

About 3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione

3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione (PubChem CID 23884011) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is 3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione.

Molecular Properties

Compound Name3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione
PubChem CID23884011
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC Name3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione
SMILESCC(C)(C)N1CN(C2CCCCC2)CSC1=S
InChIInChI=1S/C13H24N2S2/c1-13(2,3)15-9-14(10-17-12(15)16)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3
InChIKeyUJWZZYBEPVMRMM-UHFFFAOYSA-N
XLogP3.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione?
The IUPAC name of 3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione (CID 23884011) is 3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione.
What is the SMILES notation for 3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione?
The canonical SMILES for 3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione is CC(C)(C)N1CN(C2CCCCC2)CSC1=S.
What is the InChIKey of 3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione?
The InChIKey is UJWZZYBEPVMRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-13(2,3)15-9-14(10-17-12(15)16)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3.
What are the key properties of 3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione?
3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione has a molecular weight of 272.48 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione is sourced from PubChem (CID 23884011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).