Cas no 5862-49-7 (Ethanol, 2-[(1-methylethyl)thio]-, acetate)
5862-49-7 structure
Product Name:Ethanol, 2-[(1-methylethyl)thio]-, acetate
CAS No:5862-49-7
MF:C7H16O3S
MW:180.265141487122
CID:341443
PubChem ID:71443436
Update Time:2025-04-19
Ethanol, 2-[(1-methylethyl)thio]-, acetate Chemical and Physical Properties
Names and Identifiers
-
- Ethanol, 2-[(1-methylethyl)thio]-, acetate
- acetic acid,2-propan-2-ylsulfanylethanol
- DTXSID80852261
- Acetic acid--2-[(propan-2-yl)sulfanyl]ethan-1-ol (1/1)
- 5862-49-7
-
- Inchi: 1S/C5H12OS.C2H4O2/c1-5(2)7-4-3-6;1-2(3)4/h5-6H,3-4H2,1-2H3;1H3,(H,3,4)
- InChI Key: VVHGYCNTOBZMGI-UHFFFAOYSA-N
- SMILES: S(CCO)C(C)C.OC(C)=O
Computed Properties
- Exact Mass: 180.08208
- Monoisotopic Mass: 180.08201554g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 68.1
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 82.8?2
Experimental Properties
- PSA: 57.53
Ethanol, 2-[(1-methylethyl)thio]-, acetate Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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