Basic information
- CAS
14779-16-9- Standard SMILES
Cn1c(=N)sc2ccccc21- InChIKey
VYFQTZSQRZCAGR-UHFFFAOYSA-N- Molecular formula
- C8H8N2S
- Average molar mass
- 164.23 g/mol
- Monoisotopic mass
- 164.04081926
Names & identifiers
- Preferred name
- 3-Methyl-1,3-benzothiazol-2(3H)-imine
- IUPAC
- 3-methyl-1,3-benzothiazol-2-imine
- English name
- 2-Imino-3-methylbenzothiazole
- Molecular formula
- C8H8N2S
- Molecular weight
- 164.23
Names & synonyms
14779-16-93-Methyl-1,3-benzothiazol-2(3H)-imine3-methyl-1,3-benzothiazol-2-imine3-methylbenzo[d]thiazol-2(3H)-imine3-methyl-2,3-dihydro-1,3-benzothiazol-2-imine2(3H)-Benzothiazolimine, 3-methyl-3-Methyl-3H-benzothiazol-2-ylideneamine2-Imino-3-methylbenzothiazolineCHEMBL5631353F2146-00253-Methyl-3H-benzothiazol-2-imineBenzothiazoline, 2-imino-3-methyl-
Show more names
2-Imino-3-methylbenzothiazole3-Methylbenzothiazol-2(3H)-imine3-Methyl-2,3-dihydrobenzothiazole-2-imine2,3-Dihydro-2-imino-3-methylbenzothiazole
EINECS 238-845-4N-Methylbenzothiazolone imine3-Methylbenzothiazol-2-imine3-Methylbenzothiazolone imine3-methyl-2-iminobenzthiazolineSCHEMBL3895181SCHEMBL3895659SCHEMBL9706315
Database identifiers
- CAS
14779-16-9- PubChem CID
- 84642
- DTXSID
DTXSID50868132- ChEMBL
CHEMBL5631353- EC Number
- 238-845-4
- Nikkaji
- J24.682D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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