Basic information
- CAS
3938-26-9- Standard SMILES
C#CCSc1cccc(OC(=O)NC)c1- InChIKey
UNOPGNJKQODKRF-UHFFFAOYSA-N- Molecular formula
- C11H11NO2S
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.05104977
Names & identifiers
- Preferred name
- 3-(Prop-2-yn-1-ylsulfanyl)phenyl methylcarbamate
- IUPAC
- (3-prop-2-ynylsulfanylphenyl) N-methylcarbamate
Names & synonyms
3938-26-93-(prop-2-yn-1-ylsulfanyl)phenyl methylcarbamateNSC132960DTXSID40299810NSC-1329603-[(Prop-2-yn-1-yl)sulfanyl]phenyl methylcarbamate
Database identifiers
- CAS
3938-26-9- PubChem CID
- 280795
- DTXSID
DTXSID40299810
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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