Cas no 89722-14-5 (Acetic acid, [[(5-bromo-1-naphthalenyl)thioxomethyl]thio]-)
![Acetic acid, [[(5-bromo-1-naphthalenyl)thioxomethyl]thio]- structure](https://ossimg.kuujia.com/scimg/90000/89722-14-5x500.png)
89722-14-5 structure
Product Name:Acetic acid, [[(5-bromo-1-naphthalenyl)thioxomethyl]thio]-
CAS No:89722-14-5
MF:C13H9BrO2S2
MW:341.243360280991
CID:591574
PubChem ID:13558896
Update Time:2025-04-19
Acetic acid, [[(5-bromo-1-naphthalenyl)thioxomethyl]thio]- Chemical and Physical Properties
Names and Identifiers
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- Acetic acid, [[(5-bromo-1-naphthalenyl)thioxomethyl]thio]-
- 2-(5-bromonaphthalene-1-carbothioyl)sulfanylacetic acid
- [(5-Bromonaphthalene-1-carbothioyl)sulfanyl]acetic acid
- 89722-14-5
- DTXSID50543836
-
- Inchi： 1S/C13H9BrO2S2/c14-11-6-2-3-8-9(11)4-1-5-10(8)13(17)18-7-12(15)16/h1-6H,7H2,(H,15,16)
- InChI Key： IJUKUMDVNPPRJU-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC2=C(C(=S)SCC(=O)O)C=CC=C21
Computed Properties
- Exact Mass: 339.92273g/mol
- Monoisotopic Mass: 339.92273g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 335
- 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: 4.5
- Topological Polar Surface Area: 94.7?2
Acetic acid, [[(5-bromo-1-naphthalenyl)thioxomethyl]thio]- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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