Benzo[b]thiophen-3-yl acetate
Basic information
- CAS
24434-82-0- Standard SMILES
CC(=O)Oc1csc2ccccc12- InChIKey
IFMOFXZTHWSMEA-UHFFFAOYSA-N- Molecular formula
- C10H8O2S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.02450067
Names & identifiers
- Preferred name
- Benzo[b]thiophen-3-yl acetate
- IUPAC
- 1-benzothiophen-3-yl acetate
- English name
- benzo[b]thiophen-3-yl acetate
- Molecular formula
- C10H8O2S
- Molecular weight
- 192.23
Names & synonyms
benzo[b]thiophen-3-yl acetate24434-82-01-benzothiophen-3-yl acetateBenzo(b)thiophen-3-yl acetateMFCD000058653-Acetoxythianaphthenebenzothiophen-3-yl acetateEINECS 246-246-4starbld00202791-Benzothien-3-yl acetate #SCHEMBL2025468IFMOFXZTHWSMEA-UHFFFAOYSA-
Show more names
3-Acetoxybenzo[b]thiopheneBenzo[b]thiophen-3-ol acetateBenzo[b]thiophene-3-yl=acetateBenzo[b]thiophene-3-ol, 3-acetate
Benzo[b]thiophene-3-ol, acetateDTXSID30179192AC9432SY253153NS00027654InChI=1/C10H8O2S/c1-7(11)12-9-6-13-10-5-3-2-4-8(9)10/h2-6H,1H3
Database identifiers
- CAS
24434-82-0- PubChem CID
- 90500
- DTXSID
DTXSID30179192- EC Number
- 246-246-4
- Nikkaji
- J236.696G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 165 °C · 165 °C(Press: 18 Torr)
- Density
- 1.258 g/cm3 · 1.2580 g/cm3(Temp: 20.4 °C)
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Related reactions
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Compound notes
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