4-ethenyl-3-methyl-1,3-thiazolidine-2-thione

C6H9NS2 — CID 21324796

IUPAC4-ethenyl-3-methyl-1,3-thiazolidine-2-thione
SMILESC=CC1CSC(=S)N1C
InChIInChI=1S/C6H9NS2/c1-3-5-4-9-6(8)7(5)2/h3,5H,1,4H2,2H3
InChIKeyNZJVHZVGBFFYEJ-UHFFFAOYSA-N
MW159.28 g/mol
LogP1.50
Rot. Bonds1

About 4-ethenyl-3-methyl-1,3-thiazolidine-2-thione

4-ethenyl-3-methyl-1,3-thiazolidine-2-thione (PubChem CID 21324796) has the molecular formula C6H9NS2 and a molecular weight of 159.28 g/mol. Its IUPAC name is 4-ethenyl-3-methyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-ethenyl-3-methyl-1,3-thiazolidine-2-thione
PubChem CID21324796
Molecular FormulaC6H9NS2
Molecular Weight159.28 g/mol
Exact Mass159.02
IUPAC Name4-ethenyl-3-methyl-1,3-thiazolidine-2-thione
SMILESC=CC1CSC(=S)N1C
InChIInChI=1S/C6H9NS2/c1-3-5-4-9-6(8)7(5)2/h3,5H,1,4H2,2H3
InChIKeyNZJVHZVGBFFYEJ-UHFFFAOYSA-N
XLogP1.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-methyl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-ethenyl-3-methyl-1,3-thiazolidine-2-thione (CID 21324796) is 4-ethenyl-3-methyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-ethenyl-3-methyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-ethenyl-3-methyl-1,3-thiazolidine-2-thione is C=CC1CSC(=S)N1C.
What is the InChIKey of 4-ethenyl-3-methyl-1,3-thiazolidine-2-thione?
The InChIKey is NZJVHZVGBFFYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS2/c1-3-5-4-9-6(8)7(5)2/h3,5H,1,4H2,2H3.
What are the key properties of 4-ethenyl-3-methyl-1,3-thiazolidine-2-thione?
4-ethenyl-3-methyl-1,3-thiazolidine-2-thione has a molecular weight of 159.28 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-methyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 21324796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).