2-Allyl-1,3-benzothiazole
Basic information
- CAS
6278-70-2- Standard SMILES
C=CCc1nc2ccccc2s1- InChIKey
RAFWJRCRFYTEFF-UHFFFAOYSA-N- Molecular formula
- C10H9NS
- Average molar mass
- 175.25 g/mol
- Monoisotopic mass
- 175.04557046
Names & identifiers
- Preferred name
- 2-Allyl-1,3-benzothiazole
- IUPAC
- 2-prop-2-enyl-1,3-benzothiazole
- English name
- Benzothiazole, 2-(2-propenyl)- (9CI)
- Molecular formula
- C10H9NS
- Molecular weight
- 175.25
Names & synonyms
2-Allyl-1,3-benzothiazole6278-70-2DTXSID90283946RefChem:255135DTXCID002350972-(prop-2-en-1-yl)-1,3-benzothiazoleNSC34441vinylmethylbenzothiazoleSCHEMBL1077024SCHEMBL1306077SCHEMBL3424669SCHEMBL5311942
Show more names
Benzothiazole, 2-(2-propen-1-yl)-Benzothiazole, 2-(2-propenyl)- (9CI)
SCHEMBL9597126Benzothiazole, 2-(2-propenyl)-RAFWJRCRFYTEFF-UHFFFAOYSA-NNSC-34441DB-285782
Database identifiers
- CAS
6278-70-2- PubChem CID
- 234471
- DTXSID
DTXSID90283946- Nikkaji
- J3.189.463H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 36.2 · 36.2-36.5 °C
- Boiling point
- 107 · 107-108 °C(Press: 2.5 Torr)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- pka
- 1.51 · 1.51±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…