Cas no 28242-40-2 (Benzene,1,1'-(isothiocyanatomethylene)bis[4-bromo-)
28242-40-2 structure
Product Name:Benzene,1,1'-(isothiocyanatomethylene)bis[4-bromo-
CAS No:28242-40-2
MF:C14H9Br2NS
MW:383.100960493088
CID:286937
PubChem ID:283154
Update Time:2025-04-19
Benzene,1,1'-(isothiocyanatomethylene)bis[4-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 1-bromo-4-[(4-bromophenyl)-isothiocyanatomethyl]benzene
- 4,4'-dibromobenzhydryl isothiocyanate
- 1,1'-(isothiocyanatomethanediyl)bis(4-bromobenzene)
- DTXSID50300527
- NSC-137465
- SCHEMBL11341923
- 28242-40-2
- NSC137465
- Benzene,1,1'-(isothiocyanatomethylene)bis[4-bromo-
-
- Inchi： 1S/C14H9Br2NS/c15-12-5-1-10(2-6-12)14(17-9-18)11-3-7-13(16)8-4-11/h1-8,14H
- InChI Key： IXTLZDNHQCVNAA-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C(C1C=CC(=CC=1)Br)N=C=S
Computed Properties
- Exact Mass: 380.88227
- Monoisotopic Mass: 380.88225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 279
- 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: 6.3
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- PSA: 12.36
Benzene,1,1'-(isothiocyanatomethylene)bis[4-bromo- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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