Benzoxazole, 2-(2-propynylthio)-
Basic information
- CAS
52924-71-7- Standard SMILES
C#CCSc1nc2ccccc2o1- InChIKey
KQMNAZBTAYXPGG-UHFFFAOYSA-N- Molecular formula
- C10H7NOS
- Average molar mass
- 189.24 g/mol
- Monoisotopic mass
- 189.02483502
Names & identifiers
- Preferred name
- Benzoxazole, 2-(2-propynylthio)-
- IUPAC
- 2-prop-2-ynylsulfanyl-1,3-benzoxazole
Names & synonyms
52924-71-7Benzoxazole, 2-(2-propynylthio)-2-(prop-2-yn-1-ylthio)benzo[d]oxazole2-prop-2-ynylthiobenzoxazoleKQMNAZBTAYXPGG-UHFFFAOYSA-DTXSID60389202AKOS000805773ST507757272-[(Prop-2-yn-1-yl)sulfanyl]-1,3-benzoxazoleSR-01000396939SR-01000396939-1InChI=1/C10H7NOS/c1-2-7-13-10-11-8-5-3-4-6-9(8)12-10/h1,3-6H,7H2
Database identifiers
- CAS
52924-71-7- PubChem CID
- 3098733
- DTXSID
DTXSID60389202- Nikkaji
- J2.336.682G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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