2H-1,4-benzothiazine-3(4H)-thione

Base Information

• Chemical Name: 2H-1,4-benzothiazine-3(4H)-thione
• CAS No.: 22191-30-6
• Molecular Formula: C₈H₇NS₂
• Molecular Weight: 181.282
• European Community (EC) Number: 606-951-3
• DSSTox Substance ID: DTXSID30176727
• Nikkaji Number: J1.335.205D
• ChEMBL ID: CHEMBL1489650
• Mol file: 22191-30-6.mol

Synonyms:2H-1,4-benzothiazine-3(4H)-thione;22191-30-6;4H-1,4-benzothiazine-3-thione;3,4-dihydro-2H-1,4-benzothiazine-3-thione;SCHEMBL88687;MLS001007153;CHEMBL1489650;DTXSID30176727;HMS1646G21;HMS2738F17;MFCD02082224;AKOS001036212;NCGC00246017-01;12N-331S;SMR000352411;EU-0029991;AO-476/42169340;Z56784709

Chemical Property of 2H-1,4-benzothiazine-3(4H)-thione

Chemical Property:

• Vapor Pressure: 0.00203mmHg at 25°C
• Boiling Point: 290.8°C at 760 mmHg
• Flash Point: 129.7°C
• PSA: 76.46000
• Density: 1.38g/cm³
• LogP: 2.18770
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 181.00199157
• Heavy Atom Count: 11
• Complexity: 170

Purity/Quality:

2H-1,4-BENZOTHIAZINE-3(4H)-THIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=S)NC2=CC=CC=C2S1