Cas no 26027-98-5 (O-Methyl 3-methylbenzenecarbothioate)
26027-98-5 structure
Product Name:O-Methyl 3-methylbenzenecarbothioate
CAS No:26027-98-5
MF:C9H10OS
MW:166.240101337433
CID:2661554
Update Time:2023-08-06
O-Methyl 3-methylbenzenecarbothioate Chemical and Physical Properties
Names and Identifiers
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- 3-Methylthiobenzoic acid O-methyl ester
- O-Methyl 3-methylbenzenecarbothioate
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- Inchi： 1S/C9H10OS/c1-7-4-3-5-8(6-7)9(11)10-2/h3-6H,1-2H3
- InChI Key： UAYCSAUFIDRNDT-UHFFFAOYSA-N
- SMILES： S=C(C1=CC=CC(C)=C1)OC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 145
- XLogP3: 3.4
- Topological Polar Surface Area: 41.3
O-Methyl 3-methylbenzenecarbothioate Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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