Basic information
- CAS
294668-48-7- Standard SMILES
Cc1nc2c(cc(O)c3ccsc32)s1- InChIKey
CKCVIZASFQSRBN-UHFFFAOYSA-N- Molecular formula
- C10H7NOS2
- Average molar mass
- 221.3 g/mol
- Monoisotopic mass
- 220.99690619
Names & identifiers
- Preferred name
- 4-Methyl-5,12-dithia-3-azatricyclo(7.3.0.0,2,6)dodeca-1,3,6,8,10-pentaen-8-ol
- IUPAC
- 2-methylthieno[2,3-e][1,3]benzothiazol-5-ol
- English name
- Thieno[2,3-e]benzothiazol-5-ol, 2-methyl- (9CI)
- Molecular formula
- C10H7NOS2
- Molecular weight
- 221.3
Names & synonyms
294668-48-74-methyl-5,12-dithia-3-azatricyclo[7.3.0.0,2,6]dodeca-1,3,6,8,10-pentaen-8-ol4-Methyl-5,12-dithia-3-azatricyclo(7.3.0.0,2,6)dodeca-1,3,6,8,10-pentaen-8-olRefChem:525314975-828-72-methylthieno[3',2':5,6]benzo[1,2-d]thiazol-5-ol2-Methyl-thieno[2',3':3,4]benzo[2,1-d]thiazol-5-ol2-Methylthieno[2,3-E][1,3]benzothiazol-5-olMFCD00456559Thieno[2,3-e]benzothiazol-5-ol, 2-methyl- (9CI)CBDivE_014774CKCVIZASFQSRBN-UHFFFAOYSA-N
Show more names
Thieno[2,3-e]benzothiazol-5-ol, 2-methyl-
HMS1765G08STK370685AKOS000533427NCGC00320019-012-Methylthieno[2,3-e]benzothiazol-5-ol2-methylthiopheno[2,3-e]benzothiazol-5-olST50456363EN300-04386
Database identifiers
- CAS
294668-48-7- PubChem CID
- 613488
- EC Number
- 975-828-7
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 268 °C · 268 °C (sublm)
- Boiling point
- 427.4 · 427.4±25.0 °C(Predicted)
- Density
- 1.53 · 1.530±0.06 g/cm3(Predicted)
- pka
- 8.36 · 8.36±0.30(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers4 total
CHEMSTEP[email protected]
HONEST JOY HOLDINGS LIMITED[email protected]
COMBI-BLOCKS[email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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