Basic information
- CAS
13449-08-6- Standard SMILES
C=CCn1c(=O)sc2ccccc21- InChIKey
CUAPJBQDSYKIPW-UHFFFAOYSA-N- Molecular formula
- C10H9NOS
- Average molar mass
- 191.25 g/mol
- Monoisotopic mass
- 191.04048491
Names & identifiers
- Preferred name
- 3-Allyl-2,3-dihydro-1,3-benzothiazol-2-one
- IUPAC
- 3-prop-2-enyl-1,3-benzothiazol-2-one
- English name
- 2(3H)-Benzothiazolone, 3-(2-propenyl)-
- Molecular formula
- C10H9NOS
- Molecular weight
- 191.24956
Names & synonyms
3-allyl-2,3-dihydro-1,3-benzothiazol-2-one13449-08-6DTXSID80384310RefChem:276263DTXCID503353343-prop-2-enyl-1,3-benzothiazol-2-one2(3H)-Benzothiazolone, 3-(2-propenyl)-3-ALLYL-3H-BENZOTHIAZOL-2-ONESCHEMBL3034960AKOS0027602773-allyl-1,3-benzothiazol-2(3h)-oneDB-004144
Show more names
3-(2-Propen-1-yl)-2(3H)-benzothiazolone
3-(Prop-2-en-1-yl)-1,3-benzothiazol-2(3H)-one
Database identifiers
- CAS
13449-08-6- PubChem CID
- 2801692
- DTXSID
DTXSID80384310- EC Number
- 161-803-0
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- HS Code
- 2934208090 · 2934208090
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- hs_code
- 2934208090
Chemistry & industry
Suppliers1 total
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
1 records
Compound notes
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