1-methyl-5-(methylsulfanyl)-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
1365941-10-1- Standard SMILES
CSc1c(C(=O)O)cnn1C- InChIKey
LRJYTVGIPZEDAY-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2S
- Average molar mass
- 172.21 g/mol
- Monoisotopic mass
- 172.03064868
Names & identifiers
- Preferred name
- 1-methyl-5-(methylsulfanyl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-methyl-5-methylsulfanylpyrazole-4-carboxylic acid
Names & synonyms
1-methyl-5-(methylsulfanyl)-1H-pyrazole-4-carboxylic acid1365941-10-1RefChem:434426856-381-61-methyl-5-methylsulfanylpyrazole-4-carboxylic acidSCHEMBL18209680QEC94110AKOS023597298DB-132916EN300-1602151-Methyl-5-(methylthio)-1H-pyrazole-4-carboxylic acidZ1416168740
Show more names
1-methyl-5-(methylsulfanyl)-1H-pyrazole-4-carboxylicacid
Database identifiers
- CAS
1365941-10-1- PubChem CID
- 75488643
- EC Number
- 856-381-6
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
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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