Basic information
- CAS
4225-26-7- Standard SMILES
c1ccc2sc(N3CCOCC3)nc2c1- InChIKey
VVUVJGRVEYHIHC-UHFFFAOYSA-N- Molecular formula
- C11H12N2OS
- Average molar mass
- 220.29 g/mol
- Monoisotopic mass
- 220.06703418
Overview
2-(4-Morpholinyl)benzothiazole is a member of benzothiazoles.
Names & identifiers
- Preferred name
- 2-(4-Morpholinyl)benzothiazole
- IUPAC
- 4-(1,3-benzothiazol-2-yl)morpholine
- English name
- 2-Morpholinobenzothiazole
- Molecular formula
- C11H12N2OS
- Molecular weight
- 220.29
Names & synonyms
4225-26-72-(4-Morpholinyl)benzothiazole2-(morpholin-4-yl)-1,3-benzothiazoleBenzothiazole, 2-(4-morpholinyl)-DTXSID90891505RefChem:458196DTXCID201030606874-749-42-MORPHOLINOBENZOTHIAZOLE4-(1,3-benzothiazol-2-yl)morpholineMFCD000541794-(BENZO[D]THIAZOL-2-YL)MORPHOLINE
Show more names
Benzothiazole, 2-(4-morpholinyl)- (9CI)
2-MORPHOLIN-4-YL-BENZOTHIAZOLEMLS0005656682-morpholino-1,3-benzothiazoleOprea1_2948752(4-morpholinyl)benzothiazole2-morpholin-4-ylbenzothiazoleSCHEMBL809829IFLab1_000901
Database identifiers
- CAS
4225-26-7- PubChem CID
- 77901
- DTXSID
DTXSID90891505- ChEMBL
CHEMBL1344501- ChEBI
CHEBI:181575- EC Number
- 104-376-8、874-749-4
- Nikkaji
- J102.752B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 112 · 112-113 °C
- Boiling point
- 368.7 · 368.7±52.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- pka
- 3.19 · 3.19±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H332-H302-H312-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, P317, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H332-H302-H312-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers5 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Additional notes
DefinitionChEBI: 2-(4-Morpholinyl)benzothiazole is a member of benzothiazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…