Basic information
- CAS
196205-21-7- Standard SMILES
Nc1c([N+](=O)[O-])cc2ncsc2c1Br- InChIKey
NVXDYNIBCZCOLX-UHFFFAOYSA-N- Molecular formula
- C7H4BrN3O2S
- Average molar mass
- 274.1 g/mol
- Monoisotopic mass
- 272.92076
Names & identifiers
- Preferred name
- 7-Bromo-5-nitrobenzo[d]thiazol-6-amine
- IUPAC
- 7-bromo-5-nitro-1,3-benzothiazol-6-amine
- English name
- 6-Amino-7-bromo-5-nitrobenzothiazole
- Molecular formula
- C7H4BrN3O2S
- Molecular weight
- 274.09
Names & synonyms
7-Bromo-5-nitrobenzo[d]thiazol-6-amine196205-21-77-Bromo-5-nitro-1,3-benzothiazol-6-amineSCHEMBL6782869DTXSID20627854NVXDYNIBCZCOLX-UHFFFAOYSA-N5-nitro-6-amino-7-bromobenzothiazoleAKOS0160060555 -nitro-6-amino-7-bromobenzothiazole7-bromo-5-nitro-benzothiazol-6-ylamineDB-0659026-Amino-7-bromo-5-nitrobenzothiazole
Show more names
6-Benzothiazolamine, 7-bromo-5-nitro-
Database identifiers
- CAS
196205-21-7- PubChem CID
- 22728034
- DTXSID
DTXSID20627854
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 433.5 · 433.5±40.0 °C(Predicted)
- Density
- 2.007 · 2.007±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.33 · -0.33±0.30(Predicted)
Chemistry & industry
Suppliers3 total
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
6 records
Compound notes
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