Cas no 132425-78-6 ( )
structure
Product Name:
CAS No:132425-78-6
MF:C11H10O2S
MW:206.260901927948
CID:878467
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 2,3-Naphthalenediol, 6-(methylthio)- (9CI)
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- Inchi： 1S/C11H10O2S/c1-14-9-3-2-7-5-10(12)11(13)6-8(7)4-9/h2-6,12-13H,1H3
- InChI Key： BOGGNRZFGQSTIM-UHFFFAOYSA-N
- SMILES： C1=C2C(C=C(SC)C=C2)=CC(O)=C1O
Computed Properties
- Exact Mass: 206.0402
- Monoisotopic Mass: 206.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 198
- 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: 3.1
- Topological Polar Surface Area: 65.8A^2
Experimental Properties
- PSA: 40.46
Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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