Cas no 562836-64-0 (4-(Methylthio)benzoic acid)
4-(Methylthio)benzoic acid structure
Product Name:4-(Methylthio)benzoic acid
4-(Methylthio)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(Methylthio)benzoic acid
- 4-(Methylsulfanyl)benzoic acid
- NSC 400301
- 4-(Methylthio)benzoic acid, 97%
- HMS1730C04
- Benzoic acid, 4-(methylthio)-
- FT-0616817
- p-Methylmercaptobenzoic Acid
- AS-49312
- NSC400301
- F2145-0977
- para-(Methylthio)-benzoic acid
- 4-(methylthio)-benzoic acid
- M1675
- J-513776
- AC-16437
- CHEMBL99816
- Q4SWG87DXN
- 4-(methylthio) benzoic acid
- 4-methylsulfanyl-benzoic acid
- EINECS 236-171-5
- Z57989066
- DTXSID80157324
- 4-methylsulfanylbenzoic acid
- 13205-48-6
- MFCD00002555
- FT-0731960
- Benzoic acid, p-(methylthio)-
- FD7312
- SY027522
- J-620019
- NSC-400301
- p-(Methylthio)benzoic acid
- CS-0063816
- 4-(Methylsulfanyl)benzoic acid #
- SCHEMBL27422
- NS00015556
- 562836-64-0
- AMY15204
- AKOS000264501
- EN300-11674
-
- Inchi： 1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
- InChI Key： KWHCPERWLHBLOT-UHFFFAOYSA-N
- SMILES： S(C)C1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 168.025
- Monoisotopic Mass: 168.025
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 139
- 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: 2.7
- Topological Polar Surface Area: 62.6A^2
Experimental Properties
- Color/Form: 淡 黃色至米色結(jié)晶粉末
- Density: 1.28
- Melting Point: 194.5 °C
- Boiling Point: 319 °C at 760 mmHg
- Flash Point: 146.7 °C
4-(Methylthio)benzoic acid Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
562836-64-0 (4-(Methylthio)benzoic acid) Related Products
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- 13205-48-6(4-(methylsulfanyl)benzoic acid)
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