Cas no 52190-36-0 (Cycloheptanone, 2-(methylthio)-)
52190-36-0 structure
Product Name:Cycloheptanone, 2-(methylthio)-
CAS No:52190-36-0
MF:C8H14OS
MW:158.261161327362
CID:360313
PubChem ID:13128897
Update Time:2025-04-19
Cycloheptanone, 2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Cycloheptanone, 2-(methylthio)-
- 2-methylsulfanylcycloheptan-1-one
- SCHEMBL6995240
- 2-methylsulfanyl-cycloheptan-1-one
- 2-(Methylsulfanyl)cycloheptan-1-one
- 52190-36-0
- 2-(methylsulfanyl)cycloheptanone
- DTXSID20520432
- 2-(Methylthio)cycloheptanone
-
- Inchi： 1S/C8H14OS/c1-10-8-6-4-2-3-5-7(8)9/h8H,2-6H2,1H3
- InChI Key： CLQIHMPGRCTGHD-UHFFFAOYSA-N
- SMILES： S(C)C1C(CCCCC1)=O
Computed Properties
- Exact Mass: 158.07662
- Monoisotopic Mass: 158.07653624g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 122
- 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: 2.1
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
Cycloheptanone, 2-(methylthio)- Related Literature
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
52190-36-0 (Cycloheptanone, 2-(methylthio)-) Related Products
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