3-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione

C5H6F3NS2 — CID 608403

IUPAC3-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione
SMILESCN1CC(C(F)(F)F)SC1=S
InChIInChI=1S/C5H6F3NS2/c1-9-2-3(5(6,7)8)11-4(9)10/h3H,2H2,1H3
InChIKeyGHMBMCPWLFNQKG-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.88
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione

3-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione (PubChem CID 608403) has the molecular formula C5H6F3NS2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione
PubChem CID608403
Molecular FormulaC5H6F3NS2
Molecular Weight201.24 g/mol
Exact Mass200.99
IUPAC Name3-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione
SMILESCN1CC(C(F)(F)F)SC1=S
InChIInChI=1S/C5H6F3NS2/c1-9-2-3(5(6,7)8)11-4(9)10/h3H,2H2,1H3
InChIKeyGHMBMCPWLFNQKG-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.88
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-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione (CID 608403) is 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione is CN1CC(C(F)(F)F)SC1=S.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione?
The InChIKey is GHMBMCPWLFNQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NS2/c1-9-2-3(5(6,7)8)11-4(9)10/h3H,2H2,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione?
3-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione has a molecular weight of 201.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 608403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).