Basic information
- CAS
22313-70-8- Standard SMILES
COc1ccc(CNC(=S)NCc2ccc(OC)cc2)cc1- InChIKey
AEVPFOZAPNAKHW-UHFFFAOYSA-N- Molecular formula
- C17H20N2O2S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12454906
Names & identifiers
- Preferred name
- Thiourea, N,N'-bis((4-methoxyphenyl)methyl)-
- IUPAC
- 1,3-bis[(4-methoxyphenyl)methyl]thiourea
Names & synonyms
22313-70-8Thiourea, N,N'-bis[(4-methoxyphenyl)methyl]-1,3-bis[(4-methoxyphenyl)methyl]thioureaDTXSID603568181,3-bis((4-methoxyphenyl)methyl)thioureaThiourea, N,N'-bis((4-methoxyphenyl)methyl)-RefChem:385419DTXCID30307877N,N'-bis(4-methoxybenzyl)thioureaHMS2649L05MLS000663737SCHEMBL3822991
Show more names
CHEMBL1558265AKOS001060107UPCMLD0ENAT5216110:001SMR000293037N,N'-Bis[(4-methoxyphenyl)methyl]thioureaAB01209733-01SR-01000268286SR-01000268286-1
Database identifiers
- CAS
22313-70-8- PubChem CID
- 834166
- DTXSID
DTXSID60356818- ChEMBL
CHEMBL1558265
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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