Cas no 57360-11-9 (Ethanethioic acid, S-(2-oxopropyl) ester)
57360-11-9 structure
Product Name:Ethanethioic acid, S-(2-oxopropyl) ester
CAS No:57360-11-9
MF:C5H8O2S
MW:132.180820465088
CID:385815
PubChem ID:262718
Update Time:2025-04-19
Ethanethioic acid, S-(2-oxopropyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Ethanethioic acid, S-(2-oxopropyl) ester
- Ethanethioic acid, S-(2-oxopropyl) ester (9CI)
- S-(2-oxopropyl) ethanethioate
- (acetylthio)acetone
- 1-acetylthio-2-propanone
- AC1L6836
- AC1Q5CJH
- Acetylmercapto-aceton
- acetylsulfanyl-acetone
- AG-K-68132
- AR-1L3348
- CTK1H4774
- NSC96652
- S-acetyl mercaptoacetone
- 57360-11-9
- SCHEMBL10014404
- DTXSID10294438
- Ethanethioic acid,s-(2-oxopropyl)ester
- NSC-96652
-
- Inchi： 1S/C5H8O2S/c1-4(6)3-8-5(2)7/h3H2,1-2H3
- InChI Key： ZKMBPYHUFFCKTQ-UHFFFAOYSA-N
- SMILES： S(C(C)=O)CC(C)=O
Computed Properties
- Exact Mass: 132.02454
- Monoisotopic Mass: 132.025
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 109
- 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: 0.4
- Topological Polar Surface Area: 59.4?2
Experimental Properties
- Density: 1.108
- Boiling Point: 179.1°Cat760mmHg
- Flash Point: 63.5°C
- Refractive Index: 1.469
- PSA: 34.14
- LogP: 0.85510
Ethanethioic acid, S-(2-oxopropyl) ester Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
57360-11-9 (Ethanethioic acid, S-(2-oxopropyl) ester) Related Products
- 2432-51-1(S-methyl butanethioate)
- 2432-77-1(S-Methyl thiohexanoate)
- 14109-72-9(1-Methylthio-2-propanone)
- 1003-04-9(thiolan-3-one)
- 13678-58-5(1-(Methylthio)-2-butanone)
- 1534-08-3(S-Methyl thioacetate)
- 2307-10-0(S-N-Propyl Thioacetate)
- 5925-75-7(S-Methyl thiopropionate)
- 123-81-9(Ethyleneglycol bis-thioglycolate)
- 625-60-5(S-Ethyl thioacetate)
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