1-Benzoyl-3-(4-cyanophenyl)thiourea - CAS 1448-64-2
Catalog: |
BB073848 |
Product Name: |
1-Benzoyl-3-(4-cyanophenyl)thiourea |
CAS: |
1448-64-2 |
Synonyms: |
1-Benzoyl-3-(4-cyanophenyl)thiourea; N-[(4-cyanophenyl)carbamothioyl]benzamide; 3-benzoyl-1-(4-cyanophenyl)thiourea |
IUPAC Name: | N-[(4-cyanophenyl)carbamothioyl]benzamide |
Description: | 1-Benzoyl-3-(4-cyanophenyl)thiourea |
Molecular Weight: | 281.33 |
Molecular Formula: | C15H11N3OS |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C#N |
InChI: | InChI=1S/C15H11N3OS/c16-10-11-6-8-13(9-7-11)17-15(20)18-14(19)12-4-2-1-3-5-12/h1-9H,(H2,17,18,19,20) |
InChI Key: | FEECPKRZFPEEEU-UHFFFAOYSA-N |
Complexity: | 401 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.06228316 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.06228316 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 97Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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