(1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione

C6H9NS2 — CID 10931722

IUPAC(1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione
SMILESCC(=S)/C=C1\NCCS1
InChIInChI=1S/C6H9NS2/c1-5(8)4-6-7-2-3-9-6/h4,7H,2-3H2,1H3/b6-4+
InChIKeyMUMCQQSDRHNXAU-GQCTYLIASA-N
MW159.28 g/mol
LogP1.55
Rot. Bonds1

About (1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione

(1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione (PubChem CID 10931722) has the molecular formula C6H9NS2 and a molecular weight of 159.28 g/mol. Its IUPAC name is (1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione.

Molecular Properties

Compound Name(1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione
PubChem CID10931722
Molecular FormulaC6H9NS2
Molecular Weight159.28 g/mol
Exact Mass159.02
IUPAC Name(1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione
SMILESCC(=S)/C=C1\NCCS1
InChIInChI=1S/C6H9NS2/c1-5(8)4-6-7-2-3-9-6/h4,7H,2-3H2,1H3/b6-4+
InChIKeyMUMCQQSDRHNXAU-GQCTYLIASA-N
XLogP1.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-pentylidene-1,3-thiazolidine
CID 141222021
1H-pyridine-4-thione;1,3-thiazolidine
CID 158153623
(2E)-2-propylidene-1,3-thiazolidine
CID 163445654
(2E)-2-(3-iodopropylidene)-1,3-thiazolidine
CID 164091744
2-Butylidene-1,3-thiazolidine
CID 173112141
2-Ethylidene-1,3-thiazolidine
CID 173112371
2-Hexylidene-1,3-thiazolidine
CID 173112425
2-Pentylidene-1,3-thiazolidine
CID 173112427
2-Propylidene-1,3-thiazolidine
CID 173112440

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione?
The IUPAC name of (1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione (CID 10931722) is (1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione.
What is the SMILES notation for (1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione?
The canonical SMILES for (1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione is CC(=S)/C=C1\NCCS1.
What is the InChIKey of (1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione?
The InChIKey is MUMCQQSDRHNXAU-GQCTYLIASA-N. The full InChI is InChI=1S/C6H9NS2/c1-5(8)4-6-7-2-3-9-6/h4,7H,2-3H2,1H3/b6-4+.
What are the key properties of (1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione?
(1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione has a molecular weight of 159.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(1,3-thiazolidin-2-ylidene)propane-2-thione is sourced from PubChem (CID 10931722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).