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

C6H11NS2 — CID 14289429

IUPAC5-ethyl-3-methyl-1,3-thiazolidine-2-thione
SMILESCCC1CN(C)C(=S)S1
InChIInChI=1S/C6H11NS2/c1-3-5-4-7(2)6(8)9-5/h5H,3-4H2,1-2H3
InChIKeyCUCSAOSTFKTQJY-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.73
Rot. Bonds1

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

5-ethyl-3-methyl-1,3-thiazolidine-2-thione (PubChem CID 14289429) has the molecular formula C6H11NS2 and a molecular weight of 161.29 g/mol. Its IUPAC name is 5-ethyl-3-methyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name5-ethyl-3-methyl-1,3-thiazolidine-2-thione
PubChem CID14289429
Molecular FormulaC6H11NS2
Molecular Weight161.29 g/mol
Exact Mass161.03
IUPAC Name5-ethyl-3-methyl-1,3-thiazolidine-2-thione
SMILESCCC1CN(C)C(=S)S1
InChIInChI=1S/C6H11NS2/c1-3-5-4-7(2)6(8)9-5/h5H,3-4H2,1-2H3
InChIKeyCUCSAOSTFKTQJY-UHFFFAOYSA-N
XLogP1.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.73
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

Vulkacit crv
CID 74703
Carbonic acid, trithio-, cyclic (2-(dimethylamino)trimethylene) ester
CID 120767
3-Propylthiazolidine-2-thione
CID 44430052
Methyl pyrrolidine-1-carbodithioate
CID 12647036
3-Butyl-1,3-thiazolidine-2-thione;hydroiodide
CID 24195886
3-Ethyl-1,3-thiazolidine-2-thione
CID 275652
InChI=1/C7H15NS/c1-2-3-4-8-5-6-9-7-8/h2-7H2,1H
CID 5325806
1-[3-(Propylthio)propyl]-2-pyrrolidinethione
CID 129806339
1-[2-(Ethylthio)ethyl]-2-pyrrolidinethione
CID 129806383
1-[2-(Propylthio)propyl]-2-pyrrolidinethione
CID 129806519
(4S,5R)-3,4,5-trimethyl-1,3-thiazolidine-2-thione
CID 139054563
3-Butyl-1,3-thiazolidine-2-thione
CID 426933

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-1,3-thiazolidine-2-thione?
The IUPAC name of 5-ethyl-3-methyl-1,3-thiazolidine-2-thione (CID 14289429) is 5-ethyl-3-methyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 5-ethyl-3-methyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 5-ethyl-3-methyl-1,3-thiazolidine-2-thione is CCC1CN(C)C(=S)S1.
What is the InChIKey of 5-ethyl-3-methyl-1,3-thiazolidine-2-thione?
The InChIKey is CUCSAOSTFKTQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS2/c1-3-5-4-7(2)6(8)9-5/h5H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-1,3-thiazolidine-2-thione?
5-ethyl-3-methyl-1,3-thiazolidine-2-thione has a molecular weight of 161.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 14289429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).