Cas no 52476-93-4 (Thiourea, N,N'-bis(2,4,6-tribromophenyl)-)
52476-93-4 structure
Product Name:Thiourea, N,N'-bis(2,4,6-tribromophenyl)-
CAS No:52476-93-4
MF:C13H6Br6N2S
MW:701.689136981964
CID:359538
PubChem ID:71365618
Update Time:2025-04-19
Thiourea, N,N'-bis(2,4,6-tribromophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N,N'-bis(2,4,6-tribromophenyl)-
- 1,3-bis(2,4,6-tribromophenyl)thiourea
- DTXSID90789019
- 52476-93-4
- N,N'-Bis(2,4,6-tribromophenyl)thiourea
-
- Inchi： 1S/C13H6Br6N2S/c14-5-1-7(16)11(8(17)2-5)20-13(22)21-12-9(18)3-6(15)4-10(12)19/h1-4H,(H2,20,21,22)
- InChI Key： XHBBSIFUGLMNMN-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=C(C=1NC(NC1C(=CC(=CC=1Br)Br)Br)=S)Br)Br
Computed Properties
- Exact Mass: 695.53508
- Monoisotopic Mass: 695.53519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 343
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.2
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N,N'-bis(2,4,6-tribromophenyl)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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