3-ethyl-4-sulfanyl-1,3-thiazole-2-thione

C5H7NS3 — CID 91502158

IUPAC3-ethyl-4-sulfanyl-1,3-thiazole-2-thione
SMILESCCn1c(S)csc1=S
InChIInChI=1S/C5H7NS3/c1-2-6-4(7)3-9-5(6)8/h3,7H,2H2,1H3
InChIKeyGMFWTPUUOPUTLL-UHFFFAOYSA-N
MW177.32 g/mol
LogP2.59
Rot. Bonds1

About 3-ethyl-4-sulfanyl-1,3-thiazole-2-thione

3-ethyl-4-sulfanyl-1,3-thiazole-2-thione (PubChem CID 91502158) has the molecular formula C5H7NS3 and a molecular weight of 177.32 g/mol. Its IUPAC name is 3-ethyl-4-sulfanyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-ethyl-4-sulfanyl-1,3-thiazole-2-thione
PubChem CID91502158
Molecular FormulaC5H7NS3
Molecular Weight177.32 g/mol
Exact Mass176.97
IUPAC Name3-ethyl-4-sulfanyl-1,3-thiazole-2-thione
SMILESCCn1c(S)csc1=S
InChIInChI=1S/C5H7NS3/c1-2-6-4(7)3-9-5(6)8/h3,7H,2H2,1H3
InChIKeyGMFWTPUUOPUTLL-UHFFFAOYSA-N
XLogP2.59
TPSA4.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-ethyl-4-sulfanyl-1,3-thiazole-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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-sulfanyl-1,3-thiazole-2-thione?
The IUPAC name of 3-ethyl-4-sulfanyl-1,3-thiazole-2-thione (CID 91502158) is 3-ethyl-4-sulfanyl-1,3-thiazole-2-thione.
What is the SMILES notation for 3-ethyl-4-sulfanyl-1,3-thiazole-2-thione?
The canonical SMILES for 3-ethyl-4-sulfanyl-1,3-thiazole-2-thione is CCn1c(S)csc1=S.
What is the InChIKey of 3-ethyl-4-sulfanyl-1,3-thiazole-2-thione?
The InChIKey is GMFWTPUUOPUTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS3/c1-2-6-4(7)3-9-5(6)8/h3,7H,2H2,1H3.
What are the key properties of 3-ethyl-4-sulfanyl-1,3-thiazole-2-thione?
3-ethyl-4-sulfanyl-1,3-thiazole-2-thione has a molecular weight of 177.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-sulfanyl-1,3-thiazole-2-thione is sourced from PubChem (CID 91502158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).