4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione

C7H11NS2 — CID 5372764

IUPAC4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione
SMILESC=C1SC(=S)NC1(C)CC
InChIInChI=1S/C7H11NS2/c1-4-7(3)5(2)10-6(9)8-7/h2,4H2,1,3H3,(H,8,9)
InChIKeyIFVLFBXKPYGZEZ-UHFFFAOYSA-N
MW173.31 g/mol
LogP2.29
Rot. Bonds1

About 4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione

4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione (PubChem CID 5372764) has the molecular formula C7H11NS2 and a molecular weight of 173.31 g/mol. Its IUPAC name is 4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione
PubChem CID5372764
Molecular FormulaC7H11NS2
Molecular Weight173.31 g/mol
Exact Mass173.03
IUPAC Name4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione
SMILESC=C1SC(=S)NC1(C)CC
InChIInChI=1S/C7H11NS2/c1-4-7(3)5(2)10-6(9)8-7/h2,4H2,1,3H3,(H,8,9)
InChIKeyIFVLFBXKPYGZEZ-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
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 4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione?
The IUPAC name of 4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione (CID 5372764) is 4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione is C=C1SC(=S)NC1(C)CC.
What is the InChIKey of 4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione?
The InChIKey is IFVLFBXKPYGZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS2/c1-4-7(3)5(2)10-6(9)8-7/h2,4H2,1,3H3,(H,8,9).
What are the key properties of 4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione?
4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione has a molecular weight of 173.31 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-5-methylidene-1,3-thiazolidine-2-thione is sourced from PubChem (CID 5372764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).