Basic information
- CAS
79071-17-3- Standard SMILES
CCOc1ccc2nc(Cl)sc2c1- InChIKey
OJRYLNVGOPEAEP-UHFFFAOYSA-N- Molecular formula
- C9H8ClNOS
- Average molar mass
- 213.68 g/mol
- Monoisotopic mass
- 213.00151256
Names & identifiers
- Preferred name
- 2-Chloro-6-ethoxybenzo[d]thiazole
- IUPAC
- 2-chloro-6-ethoxy-1,3-benzothiazole
- English name
- 2-Chloro-6-ethoxy-1,3-benzothiazole
- Molecular formula
- C9H8ClNOS
- Molecular weight
- 213.68
Names & synonyms
2-Chloro-6-ethoxybenzo[d]thiazole79071-17-32-chloro-6-ethoxy-1,3-benzothiazole2-Chloro-6-ethoxybenzothiazole2-Chloro-6-ethoxy-benzothiazoleMFCD04971821NSC503417IFLAB-BB F1910-0015Benzothiazole, 2-chloro-6-ethoxy- (9CI)MLS0006786736-ethoxy-2-chlorobenzothiazoleSCHEMBL1748243
Show more names
6-ethoxy-2-chloro-benzothiazoleCHEMBL1328972DTXSID60325403OJRYLNVGOPEAEP-UHFFFAOYSA-NHMS2741F15Benzothiazole, 2-chloro-6-ethoxy-AKOS005208111NSC-503417
Database identifiers
- CAS
79071-17-3- PubChem CID
- 350015
- DTXSID
DTXSID60325403- ChEMBL
CHEMBL1328972
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
Solubility<0.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 66 · 66-67 °C
- Boiling point
- 145 · 145-148 °C(Press: 8 Torr)
- Density
- 1.346 · 1.346±0.06 g/cm3(Predicted)
- pka
- 0.58 · 0.58±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 29342000 · 29342000
Safety & regulation
Safety data
- hs_code
- 29342000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers30 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
盐城希曼生物科技有限公司0515-88280676; 18921872653
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
Related reactions
6 records
Compound notes
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