Cas no 919295-68-4 ((5-bromo-2-methyl-1-(phenylsulfonyl)-1H-indol-3-yl)methanol)
919295-68-4 structure
Product Name:(5-bromo-2-methyl-1-(phenylsulfonyl)-1H-indol-3-yl)methanol
CAS No:919295-68-4
MF:C16H14BrNO3S
MW:380.256262302399
CID:764444
PubChem ID:16099869
Update Time:2025-04-19
(5-bromo-2-methyl-1-(phenylsulfonyl)-1H-indol-3-yl)methanol Chemical and Physical Properties
Names and Identifiers
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- (5-bromo-2-methyl-1-(phenylsulfonyl)-1H-indol-3-yl)methanol
- [1-(benzenesulfonyl)-5-bromo-2-methylindol-3-yl]methanol
- 1H-Indole-3-methanol, 5-bromo-2-methyl-1-(phenylsulfonyl)-
- 919295-68-4
- DTXSID80582733
- [1-(Benzenesulfonyl)-5-bromo-2-methyl-1H-indol-3-yl]methanol
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- Inchi： 1S/C16H14BrNO3S/c1-11-15(10-19)14-9-12(17)7-8-16(14)18(11)22(20,21)13-5-3-2-4-6-13/h2-9,19H,10H2,1H3
- InChI Key： WAZBCLJJAIYQII-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)C(CO)=C(C)N2S(C1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 378.98778g/mol
- Monoisotopic Mass: 378.98778g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 486
- 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: 3.4
- Topological Polar Surface Area: 67.7?2
(5-bromo-2-methyl-1-(phenylsulfonyl)-1H-indol-3-yl)methanol Related Literature
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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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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