Completing data — refresh the page later to see the latest
Basic information
- CAS
1038509-46-4- Standard SMILES
O=C(O)c1ccn2ccsc12- InChIKey
SWVBPJMJJQONPB-UHFFFAOYSA-N- Molecular formula
- C7H5NO2S
- Average molar mass
- 167.19 g/mol
Names & identifiers
- Preferred name
- Pyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid
- IUPAC
- pyrrolo[2,1-b][1,3]thiazole-7-carboxylic acid
Names & synonyms
1038509-46-4pyrrolo[2,1-b][1,3]thiazole-7-carboxylic acidpyrrolo(2,1-b)(1,3)thiazole-7-carboxylic acidRefChem:871113820-484-4pyrrolo[2,1-b]thiazole-7-carboxylic AcidSCHEMBL496553SWVBPJMJJQONPB-UHFFFAOYSA-NNRB50946DB-335464EN300-96116pyrrolo[2,1-b][1,3]thiazole-7-carboxylicacid
Database identifiers
- CAS
1038509-46-4- PubChem CID
- 59316832
- EC Number
- 820-484-4
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
3 records
Compound notes
Loading…