3-Propyl-2(3H)-benzoxazolethione
Basic information
- CAS
32602-80-5- Standard SMILES
CCCn1c(=S)oc2ccccc21- InChIKey
CAVOYOJEBKCAMU-UHFFFAOYSA-N- Molecular formula
- C10H11NOS
- Average molar mass
- 193.27 g/mol
- Monoisotopic mass
- 193.05613515
Names & identifiers
- Preferred name
- 3-Propyl-2(3H)-benzoxazolethione
- IUPAC
- 3-propyl-1,3-benzoxazole-2-thione
Names & synonyms
32602-80-53-Propyl-2(3H)-benzoxazolethioneRefChem:2819493-propyl-1,3-benzoxazole-2(3H)-thione3-propyl-1,3-benzoxazole-2-thione3-Propylbenzo[d]oxazole-2(3H)-thione3-propyl-2,3-dihydro-1,3-benzoxazole-2-thioneSCHEMBL11556953DTXSID801303126SBB0916213-propyl-3-hydrobenzoxazole-2-thioneAKOS006277789
Show more names
AO-435/41051533
Database identifiers
- CAS
32602-80-5- PubChem CID
- 820288
- DTXSID
DTXSID801303126
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
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Related reactions
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Compound notes
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