Basic information
- CAS
104515-21-1- Standard SMILES
Cc1cc2c(Cl)cc(Cl)nc2s1- InChIKey
VAZPQNCVJQNJNY-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2NS
- Average molar mass
- 218.1 g/mol
- Monoisotopic mass
- 216.9519757
Names & identifiers
- Preferred name
- 4,6-Dichloro-2-methylthieno[2,3-b]pyridine
- IUPAC
- 4,6-dichloro-2-methylthieno[2,3-b]pyridine
- English name
- 4,6-Dichloro-2-Methylthieno[2,3-b]pyridine
- Molecular formula
- C8H5Cl2NS
- Molecular weight
- 218.1
Names & synonyms
4,6-Dichloro-2-methylthieno[2,3-b]pyridine104515-21-1MFCD27923623SY345867CS-0440450F72879F765723Thieno[2,3-b]pyridine, 4,6-dichloro-2-methyl-
Database identifiers
- CAS
104515-21-1- PubChem CID
- 72207216
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 306.9 · 306.9±37.0 °C(Predicted)
- Density
- 1.489 · 1.489±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.51 · 1.51±0.40(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Suppliers10 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海旭晗化学科技有限公司15921303235 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [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
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