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

C6H9NS2 — CID 21324783

IUPAC5-ethenyl-3-methyl-1,3-thiazolidine-2-thione
SMILESC=CC1CN(C)C(=S)S1
InChIInChI=1S/C6H9NS2/c1-3-5-4-7(2)6(8)9-5/h3,5H,1,4H2,2H3
InChIKeyIBYQNSLQEHRQQB-UHFFFAOYSA-N
MW159.28 g/mol
LogP1.50
Rot. Bonds1

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

5-ethenyl-3-methyl-1,3-thiazolidine-2-thione (PubChem CID 21324783) has the molecular formula C6H9NS2 and a molecular weight of 159.28 g/mol. Its IUPAC name is 5-ethenyl-3-methyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name5-ethenyl-3-methyl-1,3-thiazolidine-2-thione
PubChem CID21324783
Molecular FormulaC6H9NS2
Molecular Weight159.28 g/mol
Exact Mass159.02
IUPAC Name5-ethenyl-3-methyl-1,3-thiazolidine-2-thione
SMILESC=CC1CN(C)C(=S)S1
InChIInChI=1S/C6H9NS2/c1-3-5-4-7(2)6(8)9-5/h3,5H,1,4H2,2H3
InChIKeyIBYQNSLQEHRQQB-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 5-ethenyl-3-methyl-1,3-thiazolidine-2-thione?
The IUPAC name of 5-ethenyl-3-methyl-1,3-thiazolidine-2-thione (CID 21324783) is 5-ethenyl-3-methyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 5-ethenyl-3-methyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 5-ethenyl-3-methyl-1,3-thiazolidine-2-thione is C=CC1CN(C)C(=S)S1.
What is the InChIKey of 5-ethenyl-3-methyl-1,3-thiazolidine-2-thione?
The InChIKey is IBYQNSLQEHRQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS2/c1-3-5-4-7(2)6(8)9-5/h3,5H,1,4H2,2H3.
What are the key properties of 5-ethenyl-3-methyl-1,3-thiazolidine-2-thione?
5-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 5-ethenyl-3-methyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 21324783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).