N-methyl-4-sulfanylbutanamide
Basic information
- CAS
342613-88-1- Standard SMILES
CNC(=O)CCCS- InChIKey
IBXUUHQMQWBEMC-UHFFFAOYSA-N- Molecular formula
- C5H11NOS
- Average molar mass
- 133.21 g/mol
- Monoisotopic mass
- 133.05613515
Names & identifiers
- Preferred name
- N-methyl-4-sulfanylbutanamide
- IUPAC
- N-methyl-4-sulfanylbutanamide
Names & synonyms
N-methyl-4-sulfanylbutanamide342613-88-1RefChem:830489892-075-9SCHEMBL7869992SCHEMBL78699943-thiomethyl-N-methyl-propionamideAKOS006358599EN300-129341
Database identifiers
- CAS
342613-88-1- PubChem CID
- 104159
- EC Number
- 892-075-9
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 30.1 Ų
- Hydrogen bond donors
- 2
- 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
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%)
Suppliers
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Related reactions
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Compound notes
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