2-(3,4-Dihydroxyphenyl)ethylthiourea
Basic information
- CAS
401602-53-7- Standard SMILES
NC(=S)NCCc1ccc(O)c(O)c1- InChIKey
VFYZLDXKLFNGNK-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2S
- Average molar mass
- 212.27 g/mol
- Monoisotopic mass
- 212.0619488
Names & identifiers
- Preferred name
- 2-(3,4-Dihydroxyphenyl)ethylthiourea
- IUPAC
- 2-(3,4-dihydroxyphenyl)ethylthiourea
- English name
- Thiourea, [2-(3,4-dihydroxyphenyl)ethyl]- (9CI)
- Molecular formula
- C9H12N2O2S
- Molecular weight
- 212.27
Names & synonyms
401602-53-72-(3,4-dihydroxyphenyl)ethylthioureaThiourea, [2-(3,4-dihydroxyphenyl)ethyl]- (9CI)4-{2-[(aminothioxomethyl)amino]ethyl}benzene-1,2-diolDTXSID80399666AKOS024364687N-[2-(3,4-Dihydroxyphenyl)ethyl]thioureaST50997025Thiourea, N-[2-(3,4-dihydroxyphenyl)ethyl]-
Database identifiers
- CAS
401602-53-7- PubChem CID
- 4130486
- DTXSID
DTXSID80399666
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…