Cas no 814255-85-1 (N-[(5-bromo-3-thienyl)methyl]-N-methylBenzamide)
![N-[(5-bromo-3-thienyl)methyl]-N-methylBenzamide structure](https://ossimg.kuujia.com/scimg/814500/814255-85-1x500.png)
814255-85-1 structure
Product Name:N-[(5-bromo-3-thienyl)methyl]-N-methylBenzamide
CAS No:814255-85-1
MF:C13H12BrNOS
MW:310.209481239319
CID:2137048
PubChem ID:61394529
Update Time:2025-04-21
N-[(5-bromo-3-thienyl)methyl]-N-methylBenzamide Chemical and Physical Properties
Names and Identifiers
-
- N-[(5-bromo-3-thienyl)methyl]-N-methylBenzamide
- N-(5-bromothiophen-3-ylmethyl)-N-methylbenzamide
- SCHEMBL1749843
- AKOS010653993
- DTXSID901243086
- UQKFJHYEMVYQSV-UHFFFAOYSA-N
- DA-41305
- 814255-85-1
-
- Inchi： 1S/C13H12BrNOS/c1-15(8-10-7-12(14)17-9-10)13(16)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
- InChI Key： UQKFJHYEMVYQSV-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CS1)CN(C)C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 308.98230Da
- Monoisotopic Mass: 308.98230Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 268
- 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: 3.6
- Topological Polar Surface Area: 48.6?2
N-[(5-bromo-3-thienyl)methyl]-N-methylBenzamide Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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