Basic information
- CAS
41966-11-4- Standard SMILES
CC(C)Oc1ccc(CNC(=S)Nc2ccccc2)cc1Cl- InChIKey
LHWULTOXMMQPCS-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2OS
- Average molar mass
- 334.9 g/mol
- Monoisotopic mass
- 334.0906621
Names & identifiers
- Preferred name
- 1-[(3-Chloro-4-propan-2-yloxyphenyl)methyl]-3-phenylthiourea
- IUPAC
- 1-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-3-phenylthiourea
Names & synonyms
1-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-3-phenylthiourea41966-11-4Oprea1_561497MLS0012028741-(3-Chloro-4-isopropoxy-benzyl)-3-phenyl-thioureaCHEMBL1329420DTXSID901323852HMS2828G11STL146268AKOS000547725SMR000518966ST50339808
Show more names
1-(3-chloro-4-isopropoxybenzyl)-3-phenylthiourea1-[3-chloro-4-(propan-2-yloxy)benzyl]-3-phenylthiourea3-[(3-CHLORO-4-ISOPROPOXYPHENYL)METHYL]-1-PHENYLTHIOUREAN-({3-Chloro-4-[(propan-2-yl)oxy]phenyl}methyl)-N'-phenylthiourea
Database identifiers
- CAS
41966-11-4- PubChem CID
- 823219
- DTXSID
DTXSID901323852- ChEMBL
CHEMBL1329420
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
Solubility7.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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