Basic information
- CAS
104509-97-9- Standard SMILES
C=CCNC(=S)Nc1cccc(C(C)=O)c1- InChIKey
WRHAGJCMAVKAIL-UHFFFAOYSA-N- Molecular formula
- C12H14N2OS
- Average molar mass
- 234.32 g/mol
- Monoisotopic mass
- 234.08268425
Names & identifiers
- Preferred name
- 1-(3-Acetylphenyl)-3-allyl-2-thiourea
- IUPAC
- 1-(3-acetylphenyl)-3-prop-2-enylthiourea
Names & synonyms
104509-97-91-(3-acetylphenyl)-3-allyl-2-thioureaRefChem:423241666-377-4N-(3-acetyl-phenyl)-N'-allyl-thiourea1-(3-Acetylphenyl)-3-allylthioureaSCHEMBL5462181AKOS000968935ST451626131-acetyl-3-{[(prop-2-enylamino)thioxomethyl]amino}benzene
Database identifiers
- CAS
104509-97-9- PubChem CID
- 4090937
- EC Number
- 666-377-4
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…