Cas no 2182455-39-4 (5-bromothiophene-2-carbonitrile-3,4-d2)
2182455-39-4 structure
Product Name:5-bromothiophene-2-carbonitrile-3,4-d2
CAS No:2182455-39-4
MF:C5H2BrNS
MW:190.057402133942
CID:6824242
PubChem ID:172401750
Update Time:2025-03-04
5-bromothiophene-2-carbonitrile-3,4-d2 Chemical and Physical Properties
Names and Identifiers
-
- 5-bromothiophene-2-carbonitrile-3,4-d2
- 2182455-39-4
- CS-22313
-
- Inchi： 1S/C5H2BrNS/c6-5-2-1-4(3-7)8-5/h1-2H/i1D,2D
- InChI Key： YVVHCBNJWHPMCQ-QDNHWIQGSA-N
- SMILES： BrC1=C([2H])C([2H])=C(C#N)S1
Computed Properties
- Exact Mass: 188.92169Da
- Monoisotopic Mass: 188.92169Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 128
- 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: 2.7
- Topological Polar Surface Area: 52?2
5-bromothiophene-2-carbonitrile-3,4-d2 Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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