4-Amino-6-bromothiochroman 1,1-dioxide

Base Information

• Chemical Name: 4-Amino-6-bromothiochroman 1,1-dioxide
• CAS No.: 916420-34-3
• Molecular Formula: C9H10 Br N O2 S
• Molecular Weight: 312.61100
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID40655896
• ChEMBL ID: CHEMBL4557038
• Mol file: 916420-34-3.mol

Synonyms:4-Amino-6-bromothiochroman 1,1-dioxide;916420-34-3;6-bromo-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine;4H-Amino-6-bromo-2,3-dihydrothiochromen-1,1-dioxide;4-Amino-6-bromothiochroman1,1-dioxide;SCHEMBL8278125;CHEMBL4557038;DTXSID40655896;AKOS009375545;FT-0646721;C13598;EN300-145672;A849506;J-515444;4-Amino-6-bromo-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione;6-Bromo-1,1-dioxo-1l6-thiochroman-4-ylamine;hydrochloride;4-amino-6-bromo-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione

Chemical Property of 4-Amino-6-bromothiochroman 1,1-dioxide

Chemical Property:

• Boiling Point: 415.6±45.0 °C(Predicted)
• PKA: 6.85±0.20(Predicted)
• PSA: 68.54000
• Density: 1.657±0.06 g/cm3(Predicted)
• LogP: 4.20940
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 274.96156
• Heavy Atom Count: 14
• Complexity: 311

Purity/Quality:

99% ^*data from raw suppliers

4H-Amino-6-bromo-2,3-dihydrothiochromen-1,1-dioxide >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)C2=C(C1N)C=C(C=C2)Br