3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione

C10H17NS2 — CID 20572285

IUPAC3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione
SMILESCC1CN(C2CCCCC2)C(=S)S1
InChIInChI=1S/C10H17NS2/c1-8-7-11(10(12)13-8)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3
InChIKeyTYRCAYGSWFRNDI-UHFFFAOYSA-N
MW215.39 g/mol
LogP3.04
Rot. Bonds1

About 3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione

3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione (PubChem CID 20572285) has the molecular formula C10H17NS2 and a molecular weight of 215.39 g/mol. Its IUPAC name is 3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione
PubChem CID20572285
Molecular FormulaC10H17NS2
Molecular Weight215.39 g/mol
Exact Mass215.08
IUPAC Name3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione
SMILESCC1CN(C2CCCCC2)C(=S)S1
InChIInChI=1S/C10H17NS2/c1-8-7-11(10(12)13-8)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3
InChIKeyTYRCAYGSWFRNDI-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
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 3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione?
The IUPAC name of 3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione (CID 20572285) is 3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione is CC1CN(C2CCCCC2)C(=S)S1.
What is the InChIKey of 3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione?
The InChIKey is TYRCAYGSWFRNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS2/c1-8-7-11(10(12)13-8)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3.
What are the key properties of 3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione?
3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione has a molecular weight of 215.39 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-methyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 20572285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).