Basic information
- CAS
89499-51-4- Standard SMILES
COC(=O)c1cc(N)c(Br)s1- InChIKey
SLMFLUFQWGQAPZ-UHFFFAOYSA-N- Molecular formula
- C6H6BrNO2S
- Average molar mass
- 236.09 g/mol
- Monoisotopic mass
- 234.93026
Names & identifiers
- Preferred name
- Methyl 4-amino-5-bromothiophene-2-carboxylate
- IUPAC
- methyl 4-amino-5-bromothiophene-2-carboxylate
- English name
- Methyl 4-aMino-5-broMothiophene-2-carboxylate
- Molecular formula
- C6H6BrNO2S
- Molecular weight
- 236.09
Names & synonyms
Methyl 4-amino-5-bromothiophene-2-carboxylate89499-51-4MFCD23135739Methyl 4-amino-5-bromothiophene-2-carboxylat2-Thiophenecarboxylic acid, 4-amino-5-bromo-, methyl esterSCHEMBL29271619DTXSID60743784AS-76265SY116298CS-0150850Methyl4-amino-5-bromothiophene-2-carboxylatemethyl 4-amino-5-bromo-thiophene-2-carboxylate
Show more names
O11928F692626
Database identifiers
- CAS
89499-51-4- PubChem CID
- 70701005
- DTXSID
DTXSID60743784
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 365.6 · 365.6±37.0 °C(Predicted)
- Density
- 1.745 · 1.745±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 1.06 · 1.06±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
Chemistry & industry
Suppliers16 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
南京宏望医药科技有限公司15366073145 · [email protected]
上海辰烛医药科技有限公司13162380607 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…