5-Ethyl-1,3-benzothiazole-2(3H)-thione

Base Information

• Chemical Name: 5-Ethyl-1,3-benzothiazole-2(3H)-thione
• CAS No.: 90382-09-5
• Molecular Formula: C9H9 N S2
• Molecular Weight: 195.30446
• DSSTox Substance ID: DTXSID10592825
• Wikidata: Q82487149
• Mol file: 90382-09-5.mol

Synonyms:90382-09-5;5-Ethyl-1,3-benzothiazole-2(3H)-thione;SCHEMBL1772237;5-ethyl-2-mercaptobenzothiazole;DTXSID10592825;5-ethyl-1,3-benzothiazole-2-thiol;2(3H)-Benzothiazolethione, 5-ethyl-;5-Ethylbenzo[d]thiazole-2(3H)-thione;DB-280572;EN300-673330

Chemical Property of 5-Ethyl-1,3-benzothiazole-2(3H)-thione

Chemical Property:

• PSA: 79.93000
• LogP: 3.14740
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 195.01764164
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC2=C(C=C1)SC(=S)N2