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Basic information
- CAS
51661-22-4- Standard SMILES
CNc1nc2ccc(OC)cc2s1- InChIKey
UUXRFTMIMLTQCN-UHFFFAOYSA-N- Molecular formula
- C9H10N2OS
- Average molar mass
- 194.26 g/mol
- Monoisotopic mass
- 194.05138412
Names & identifiers
- Preferred name
- Benzothiazole, 6-methoxy-2-methylamino-
- IUPAC
- 6-methoxy-N-methyl-1,3-benzothiazol-2-amine
- English name
- 2-Benzothiazolamine,6-methoxy-N-methyl-(9CI)
- Molecular formula
- C9H10N2OS
- Molecular weight
- 194.25
Names & synonyms
6-methoxy-N-methyl-1,3-benzothiazol-2-amine51661-22-4BENZOTHIAZOLE, 6-METHOXY-2-METHYLAMINO-2-BENZOTHIAZOLAMINE, 6-METHOXY-N-METHYL-2-Methylamino-6-methoxybenzthiazoleBRN 01392924-27-00-05452 (Beilstein Handbook Reference)6-METHOXY-N-METHYLBENZO[D]THIAZOL-2-AMINESCHEMBL8280120DTXSID60199601STL193338AKOS008961531
Show more names
6-methoxy-2-methylaminobenzothiazole6-Methoxy-N-methyl-2-benzothiazolamineN-Methyl-6-methoxybenzothiazole-2-amine2-Benzothiazolamine,6-methoxy-N-methyl-(9CI)
AB09688CCG-321757DB-323735EN300-3069682
Database identifiers
- CAS
51661-22-4- PubChem CID
- 40080
- DTXSID
DTXSID60199601- Nikkaji
- J65.536H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 198 °C · 198 °C
- Boiling point
- 313.7 · 313.7±34.0 °C(Predicted)
- Density
- 1.297 · 1.297±0.06 g/cm3(Predicted)
- pka
- 4.88 · 4.88±0.10(Predicted)
Chemistry & industry
Suppliers1 total
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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