Cas no 74903-54-1 (6-Sulfanyloctanoic acid)
6-Sulfanyloctanoic acid structure
Product Name:6-Sulfanyloctanoic acid
CAS No:74903-54-1
MF:C8H16O2S
MW:176.276441574097
CID:2801016
PubChem ID:656431
Update Time:2024-03-01
6-Sulfanyloctanoic acid Chemical and Physical Properties
Names and Identifiers
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- 6-sulfanyloctanoic acid
- 6-thiooctanoic acid
- 6-Sulfanyloctanoic acid
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- Inchi： 1S/C8H16O2S/c1-2-7(11)5-3-4-6-8(9)10/h7,11H,2-6H2,1H3,(H,9,10)
- InChI Key： LABZAONVGARYLS-UHFFFAOYSA-N
- SMILES： SC(CC)CCCCC(=O)O
Computed Properties
- Exact Mass: 176.08710092g/mol
- Monoisotopic Mass: 176.08710092g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 115
- 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: 2
- Topological Polar Surface Area: 38.3
6-Sulfanyloctanoic acid Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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