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

C6H8F3NS2 — CID 611961

IUPAC3-ethyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione
SMILESCCN1CC(C(F)(F)F)SC1=S
InChIInChI=1S/C6H8F3NS2/c1-2-10-3-4(6(7,8)9)12-5(10)11/h4H,2-3H2,1H3
InChIKeyDGSGODGUPXQRNK-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.27
Rot. Bonds1

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

3-ethyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione (PubChem CID 611961) has the molecular formula C6H8F3NS2 and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-ethyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-ethyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione
PubChem CID611961
Molecular FormulaC6H8F3NS2
Molecular Weight215.26 g/mol
Exact Mass215.01
IUPAC Name3-ethyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione
SMILESCCN1CC(C(F)(F)F)SC1=S
InChIInChI=1S/C6H8F3NS2/c1-2-10-3-4(6(7,8)9)12-5(10)11/h4H,2-3H2,1H3
InChIKeyDGSGODGUPXQRNK-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Propylthiazolidine-2-thione
CID 44430052
5-Trifluoromethyl-3-methylthiazolidine-2-thione
CID 608403
2,3-Dimethyl-5-(trifluoromethyl)-1,3-thiazolidine
CID 123476501
3,3-Difluoro-1-(1-methylsulfanylethyl)pyrrolidine
CID 123477880
3-Methyl-5-(trifluoromethyl)-1,3-thiazolidine
CID 145167743
4-(Difluoromethyl)-3-methyl-1,3-thiazolidine-2-thione
CID 146326076
4,4-Difluoro-1-methyl-2-methylsulfanylpyrrolidine
CID 159503107
2,2,2-trifluoroethyl N,N-diethylcarbamodithioate
CID 162161730
3,3-Difluoro-1-(2-methylsulfanylethyl)pyrrolidine
CID 162610422
3-Butyl-1,3-thiazolidine-2-thione
CID 426933
Ethyl pyrrolidine-1-carbodithioate
CID 14287987
3,5-Dimethyl-1,3-thiazolidine-2-thione
CID 14289428

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-ethyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione (CID 611961) is 3-ethyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-ethyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-ethyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione is CCN1CC(C(F)(F)F)SC1=S.
What is the InChIKey of 3-ethyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione?
The InChIKey is DGSGODGUPXQRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NS2/c1-2-10-3-4(6(7,8)9)12-5(10)11/h4H,2-3H2,1H3.
What are the key properties of 3-ethyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione?
3-ethyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione has a molecular weight of 215.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(trifluoromethyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 611961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).