1-(4-Bromophenyl)-3-(3-methoxyphenyl)thiourea

HCID 976803

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Basic information

CAS: 356574-00-0
Standard SMILES: COc1cccc(NC(=S)Nc2ccc(Br)cc2)c1
InChIKey: MTECRSZNCGQULO-UHFFFAOYSA-N
Molecular formula: C14H13BrN2OS
Average molar mass: 337.24 g/mol
Monoisotopic mass: 335.9932

Names & identifiers

Preferred name: 1-(4-Bromophenyl)-3-(3-methoxyphenyl)thiourea
IUPAC: 1-(4-bromophenyl)-3-(3-methoxyphenyl)thiourea

Names & synonyms

1-(4-bromophenyl)-3-(3-methoxyphenyl)thiourea356574-00-0N-(4-Bromophenyl)-N'-(3-methoxyphenyl)thioureaDTXSID501247343STK136078AKOS003262124N-(4-Bromophenyl)-Na(2)-(3-methoxyphenyl)thiourea

Database identifiers

CAS: 356574-00-0
PubChem CID: 976803
DTXSID: DTXSID501247343

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 65.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 295

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