Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide

Base Information

• Chemical Name: Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide
• CAS No.: 87344-00-1
• Molecular Formula: C9H9 N3 O2 S3
• Molecular Weight: 0
• NSC Number: 376760
• UNII: Y82MKJ8NE6
• DSSTox Substance ID: DTXSID80236289
• Mol file: 87344-00-1.mol

Synonyms:4-BTCDT;methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide

Chemical Property of Methyl-4H-1,2,4-benzothiadiazin-3-yl-carbamodithioate-S,S-dioxide

Chemical Property:

• Vapor Pressure: 2.11E-09mmHg at 25°C
• Boiling Point: 480.8°C at 760 mmHg
• Flash Point: 244.6°C
• PSA: 136.33000
• Density: 1.62g/cm³
• LogP: 2.43960
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 286.98569006
• Heavy Atom Count: 17
• Complexity: 441

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=S)SC1=NS(=O)(=O)C2=CC=CC=C2N1