Cas no 110577-63-4 (Butanoic acid,2-[(4-chlorophenyl)thio]-3,3-dimethyl-)
![Butanoic acid,2-[(4-chlorophenyl)thio]-3,3-dimethyl- structure](https://ossimg.kuujia.com/scimg/111000/110577-63-4x500.png)
110577-63-4 structure
Product Name:Butanoic acid,2-[(4-chlorophenyl)thio]-3,3-dimethyl-
CAS No:110577-63-4
MF:C12H15ClO2S
MW:258.764301538467
CID:140419
PubChem ID:184252
Update Time:2025-04-19
Butanoic acid,2-[(4-chlorophenyl)thio]-3,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-[(4-chlorophenyl)thio]-3,3-dimethyl-
- 2-(4-chlorophenyl)sulfanyl-3,3-dimethylbutanoic acid
- 110577-63-4
- 2-[(4-chlorophenyl)thio]-3,3-dimethylbutanoic acid
- 2-(4-chlorophenyl)sulfanyl-3,3-dimethyl-butanoic Acid
- A804778
- 2-[(4-chlorophenyl)sulfanyl]-3,3-dimethylbutanoic acid
- Butanoic acid, 2-((4-chlorophenyl)thio)-3,3-dimethyl-
- DTXSID00911768
-
- Inchi： 1S/C12H15ClO2S/c1-12(2,3)10(11(14)15)16-9-6-4-8(13)5-7-9/h4-7,10H,1-3H3,(H,14,15)
- InChI Key： JBTVHAOPCCDXOP-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)SC(C(=O)O)C(C)(C)C
Computed Properties
- Exact Mass: 258.04825
- Monoisotopic Mass: 258.0481286g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 242
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
Butanoic acid,2-[(4-chlorophenyl)thio]-3,3-dimethyl- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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