Basic information
- CAS
383131-51-9- Standard SMILES
COc1cc(Cl)c(OC)c2sc(N)nc12- InChIKey
ZLHNOONVBJQEDA-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2O2S
- Average molar mass
- 244.7 g/mol
- Monoisotopic mass
- 244.0073264
Names & identifiers
- Preferred name
- 6-Chloro-4,7-dimethoxy-1,3-benzothiazol-2-amine
- IUPAC
- 6-chloro-4,7-dimethoxy-1,3-benzothiazol-2-amine
- English name
- 2-Amino-6-chloro-4,7-dimethoxybenzothiazole
- Molecular formula
- C9H9ClN2O2S
- Molecular weight
- 244.7
Names & synonyms
383131-51-92-AMINO-6-CHLORO-4,7-DIMETHOXYBENZOTHIAZOLE6-chloro-4,7-dimethoxy-1,3-benzothiazol-2-amine6-chloro-4,7-dimethoxybenzo[d]thiazol-2-amineNSC508157DTXSID10325453STK729534AKOS000296425NSC-508157AKOS BC-3196ASISCHEM D509852-Benzothiazolamine, 6-chloro-4,7-dimethoxy-
Show more names
6-CHLORO-4,7-DIMETHOXY-BENZOTHIAZOL-2-YLAMINE
Database identifiers
- CAS
383131-51-9- PubChem CID
- 350164
- DTXSID
DTXSID10325453
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 420.4 · 420.4±55.0 °C(Predicted)
- Density
- 1.452 · 1.452±0.06 g/cm3(Predicted)
- pka
- 3.76 · 3.76±0.30(Predicted)
Chemistry & industry
Suppliers3 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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