3-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione

C9H17NS2 — CID 21324795

IUPAC3-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione
SMILESCCN1C(=S)SC(C)(C)C1(C)C
InChIInChI=1S/C9H17NS2/c1-6-10-7(11)12-9(4,5)8(10,2)3/h6H2,1-5H3
InChIKeyNJKGQHSYTBBGHI-UHFFFAOYSA-N
MW203.38 g/mol
LogP2.90
Rot. Bonds1

About 3-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione

3-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione (PubChem CID 21324795) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is 3-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione
PubChem CID21324795
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name3-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione
SMILESCCN1C(=S)SC(C)(C)C1(C)C
InChIInChI=1S/C9H17NS2/c1-6-10-7(11)12-9(4,5)8(10,2)3/h6H2,1-5H3
InChIKeyNJKGQHSYTBBGHI-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.90
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-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione?
The IUPAC name of 3-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione (CID 21324795) is 3-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione is CCN1C(=S)SC(C)(C)C1(C)C.
What is the InChIKey of 3-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione?
The InChIKey is NJKGQHSYTBBGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-6-10-7(11)12-9(4,5)8(10,2)3/h6H2,1-5H3.
What are the key properties of 3-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione?
3-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione has a molecular weight of 203.38 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,4,5,5-tetramethyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 21324795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).