Cas no 884-09-3 (S-phenyl benzenecarbothioate)
S-phenyl benzenecarbothioate structure
Product Name:S-phenyl benzenecarbothioate
S-phenyl benzenecarbothioate Chemical and Physical Properties
Names and Identifiers
-
- S-phenyl benzenecarbothioate
- NSC 100976
- Phenyl thiobenzoate
- VCQYDZJGTXAFRL-UHFFFAOYSA-N
- NCIOpen2_006737
- AKOS002225436
- NCGC00339051-01
- Benzoic acid, thio-, S-phenyl ester
- AB01330923-02
- NSC100976
- NSC-100976
- Benzenecarbothioic acid, S-phenyl ester
- S-Phenyl benzothioate
- AG-668/02781054
- VCQYDZJGTXAFRL-UHFFFAOYSA-
- thiobenzoic acid S-phenyl ester
- DTXSID40237015
- S-Phenyl thiobenzoate
- SCHEMBL274958
- BRN 2047040
- InChI=1/C13H10OS/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H
- 884-09-3
- STK701855
-
- Inchi： 1S/C13H10OS/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H
- InChI Key： VCQYDZJGTXAFRL-UHFFFAOYSA-N
- SMILES： S(C(C1C=CC=CC=1)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 214.04523611g/mol
- Monoisotopic Mass: 214.04523611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 203
- 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: 3.9
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- Density: 1.20±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: 64-66 oC
- Solubility: Almost insoluble (0.024 g/l) (25 o C),
S-phenyl benzenecarbothioate Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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