Basic information
- CAS
22043-16-9- Standard SMILES
COc1cc(C=NNC(N)=S)cc(OC)c1OC- InChIKey
DMATYSZHGOMQEH-UHFFFAOYSA-N- Molecular formula
- C11H15N3O3S
- Average molar mass
- 269.32 g/mol
- Monoisotopic mass
- 269.08341252
Names & identifiers
- Preferred name
- 1-[(3,4,5-Trimethoxybenzyliden)amino]-thiourea
- IUPAC
- [(3,4,5-trimethoxyphenyl)methylideneamino]thiourea
Names & synonyms
Maybridge1_0032921-[(3,4,5-trimethoxybenzyliden)amino]-thioureaCBDivE_007554DTXSID90944661AKOS0172637332-[(3,4,5-Trimethoxyphenyl)methylidene]hydrazine-1-carboximidothioic acid
Database identifiers
- CAS
22043-16-9- PubChem CID
- 730952
- DTXSID
DTXSID90944661
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…