2-(6-Phenylimidazo(2,1-b)(1,3)thiazol-3-yl)acetic acid
Basic information
- CAS
68347-91-1- Standard SMILES
O=C(O)Cc1csc2nc(-c3ccccc3)cn12- InChIKey
ZBDXJNSQBIUHPE-UHFFFAOYSA-N- Molecular formula
- C13H10N2O2S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.04629874
Names & identifiers
- Preferred name
- 2-(6-Phenylimidazo(2,1-b)(1,3)thiazol-3-yl)acetic acid
- IUPAC
- 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid
- English name
- (6-PHENYLIMIDAZO[2,1-B][1,3]THIAZOL-3-YL)ACETIC ACID
- Molecular formula
- C13H10N2O2S
- Molecular weight
- 258.3
Names & synonyms
2-{6-phenylimidazo[2,1-b][1,3]thiazol-3-yl}acetic acid2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid2-(6-Phenylimidazo(2,1-b)(1,3)thiazol-3-yl)acetic acidRefChem:459289842-754-068347-91-1(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetic acid2-(6-phenylimidazo[2,1-b]thiazol-3-yl)acetic acidMFCD02070157{6-Phenylimidazo[2,1-b][1,3]thiazol-3-yl}acetic acidTimTec1_003570Oprea1_408092
Show more names
Imidazo[2,1-b]thiazole-3-acetic acid, 6-phenyl-
DTXSID80350050ZBDXJNSQBIUHPE-UHFFFAOYSA-NHMS1544C06TCA34791BBL010910STK658794AKOS001204878DA-27970
Database identifiers
- CAS
68347-91-1- PubChem CID
- 672289
- DTXSID
DTXSID80350050- EC Number
- 842-754-0
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- form
- solid
- InChI
- 1S/C13H10N2O2S/c16-12(17)6-10-8-18-13-14-11(7-15(10)13)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17)
- InChIKey
- ZBDXJNSQBIUHPE-UHFFFAOYSA-N
- SMILES
- O=C(O)CC1=CSC2=NC(C3=CC=CC=C3)=CN21
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2
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%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H315-H319-H302
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…