Basic information
- CAS
77446-99-2- Standard SMILES
CSc1nc(C)c(CC(=O)O)s1- InChIKey
GOJQXKIEZOXVJX-UHFFFAOYSA-N- Molecular formula
- C7H9NO2S2
- Average molar mass
- 203.3 g/mol
- Monoisotopic mass
- 203.00747088
Names & identifiers
- Preferred name
- 2-(4-Methyl-2-(methylsulfanyl)-1,3-thiazol-5-yl)acetic acid
- IUPAC
- 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetic acid
Names & synonyms
2-[4-methyl-2-(methylsulfanyl)-1,3-thiazol-5-yl]acetic acid77446-99-22-(4-Methyl-2-(methylsulfanyl)-1,3-thiazol-5-yl)acetic acidRefChem:458031966-142-92-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetic AcidSCHEMBL46644SCHEMBL3731990AKOS000205636CS-0241994EN300-24300G45183
Show more names
2-(4-methyl-2-methylsulfanyl-thiazol-5-yl)acetic acidZ1789611262-[4-methyl-2-(methylsulfanyl)-1,3-thiazol-5-yl]aceticacid
Database identifiers
- CAS
77446-99-2- PubChem CID
- 9504102
- EC Number
- 966-142-9
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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