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Basic information
- CAS
70590-58-8- Standard SMILES
CNC1CCc2ncsc2C1- InChIKey
YDSVAKPJAOSZJA-UHFFFAOYSA-N- Molecular formula
- C8H12N2S
- Average molar mass
- 168.26 g/mol
- Monoisotopic mass
- 168.07211956
Names & identifiers
- Preferred name
- Etrabamine
- IUPAC
- N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
- English name
- Etrabamine
- Molecular formula
- C8H12N2S
- Molecular weight
- 168.26
Names & synonyms
Etrabamine70590-58-8Etrabamine [INN]EtrabaminaEtrabaminumEtrabaminum [INN-Latin]Etrabamina [INN-Spanish]6-Benzothiazolamine, 4,5,6,7-tetrahydro-N-methyl-BRN 05109766-(Methylamino)-4,5,6,7-tetrahydrobenzothiazoleUNII-V55R69267Q4,5,6,7-Tetrahydro-6-(methylamino)benzothiazole
Show more names
V55R69267QMethylamino-6 tetrahydro-4,5,6,7 benzo(d)thiazole [French]Methylamino-6 tetrahydro-4,5,6,7 benzo(d)thiazoleBenzothiazole, 4,5,6,7-tetrahydro-6-(methylamino)-Etrabaminum (INN-Latin)Etrabamina (INN-Spanish)RefChem:139295N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
Database identifiers
- CAS
70590-58-8- PubChem CID
- 68895
- DTXSID
DTXSID10867929- ChEMBL
CHEMBL2106160- UNII
- V55R69267Q
- Nikkaji
- J612.493C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- FDA UNII
- 55 R69267Q · V55R69267Q
Chemistry & industry
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
4 records
Compound notes
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