Basic information
- CAS
1001648-73-2- Standard SMILES
Nc1nc2c(s1)C(=O)C(Br)CC2- InChIKey
PHFIWBGTVLJDDJ-UHFFFAOYSA-N- Molecular formula
- C7H7BrN2OS
- Average molar mass
- 247.11 g/mol
- Monoisotopic mass
- 245.94625
Names & identifiers
- Preferred name
- 2-Amino-6-bromo-5,6-dihydro-7(4H)-benzothiazolone
- IUPAC
- 2-amino-6-bromo-5,6-dihydro-4H-1,3-benzothiazol-7-one
- English name
- 2-AMino-6-broMo-5,6-dihydro-7(4H)-benzothiazolone
- Molecular formula
- C7H7BrN2OS
- Molecular weight
- 247.11
Names & synonyms
1001648-73-22-Amino-6-bromo-5,6-dihydro-7(4H)-benzothiazolone2-Amino-6-bromo-5,6-dihydrobenzo[d]thiazol-7(4H)-one2-amino-6-bromo-5,6-dihydro-4H-1,3-benzothiazol-7-one2-amino-6-bromo-7-oxo-4,5,6,7-tetrahydrobenzothiazole2-amino-6-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one6-bromo-2-imino-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-7-one2-AMINO-6-BROMO-5,6-DIHYDRO-4H-BENZOTHIAZOL-7-ONEPramipexole Impurity 112Y7TRU9LGD6SCHEMBL45972737(4H)-Benzothiazolone, 2-amino-6-bromo-5,6-dihydro-
Show more names
pramipexole impurities11712-amino-6-bromo-5,6-dihydrobenzothiazol-7(4H)-one2-Amino-6-Bromo-5,6-Dihydro-4H-Benzothiazol-7-One(WX140942)
2-Amino-6-Bromo-5 ,6-Dihydrobenzo[d]thiazol-7(4H)-OneDTXSID20732351BQB64873MFCD32199099AKOS037646320AS-68142DB-292880CS-0037129
Database identifiers
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 186 · 186-189oC
- Boiling point
- 418 · 418.0±45.0 °C(Predicted)
- Density
- 1.87 · 1.870±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Methanol (Slightly)
- pka
- 2.5 · 2.50±0.40(Predicted)
- form
- Solid
- color
- Light Beige
Chemistry & industry
Applications
UsesIntermediate in the preparation of Pramipexole.
Suppliers31 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
杭州莱晟生物科技有限公司13456210265 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
盐城希曼生物科技有限公司0515-88280676; 18921872653 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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