Cas no 7233-49-0 (Thiotrimethylenethio,1-(4-carboxybutyl)- (8CI))
7233-49-0 structure
Product Name:Thiotrimethylenethio,1-(4-carboxybutyl)- (8CI)
CAS No:7233-49-0
MF:C7H11O3
MW:143.160442590714
CID:578783
PubChem ID:5249416
Update Time:2025-04-19
Thiotrimethylenethio,1-(4-carboxybutyl)- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Thiotrimethylenethio,1-(4-carboxybutyl)- (8CI)
- 2-hydroxycyclohexane-1-carboxylate
- 7233-49-0
- DTXSID30413184
-
- Inchi： 1S/C7H12O3/c8-6-4-2-1-3-5(6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/p-1
- InChI Key： SNKAANHOVFZAMR-UHFFFAOYSA-M
- SMILES： OC1CCCCC1C(=O)[O-]
Computed Properties
- Exact Mass: 143.07083
- Monoisotopic Mass: 143.071
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 127
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 60.4A^2
- XLogP3: 1.7
Experimental Properties
- Boiling Point: 307.9°Cat760mmHg
- Flash Point: 154.2°C
- PSA: 60.36
Thiotrimethylenethio,1-(4-carboxybutyl)- (8CI) Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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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
7233-49-0 (Thiotrimethylenethio,1-(4-carboxybutyl)- (8CI)) Related Products
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