Basic information
- CAS
70961-62-5- Standard SMILES
CNC(=O)CCSC- InChIKey
YBWOQUNBJGRKNJ-UHFFFAOYSA-N- Molecular formula
- C5H11NOS
- Average molar mass
- 133.21 g/mol
- Monoisotopic mass
- 133.05613515
Names & identifiers
- Preferred name
- N-methyl-3-(methylsulfanyl)propanamide
- IUPAC
- N-methyl-3-methylsulfanylpropanamide
Names & synonyms
70961-62-5N-methyl-3-(methylsulfanyl)propanamideRefChem:830425844-916-6N-methyl-3-methylsulfanylpropanamideN-Methyl-3-(methylthio)propanamideSCHEMBL7904847AKOS008933402CS-0258625EN300-7064291
Database identifiers
- CAS
70961-62-5- PubChem CID
- 12868356
- EC Number
- 844-916-6
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.8
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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