Cas no 25057-68-5 (3-Thiepanone)
3-Thiepanone structure
Product Name:3-Thiepanone
CAS No:25057-68-5
MF:C6H10OS
MW:130.208000659943
CID:281706
PubChem ID:262581
Update Time:2025-04-19
3-Thiepanone Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiepanone
- thiepan-3-one
- 3-Thiacycloheptanone
- AC1L67S6
- AC1Q6EVR
- AR-1F5282
- CTK1A6384
- NSC96447
- SCHEMBL10365968
- UNII-WG9DEY7N37
- 25057-68-5
- DTXSID40294406
- NSC-96447
- WG9DEY7N37
-
- Inchi： 1S/C6H10OS/c7-6-3-1-2-4-8-5-6/h1-5H2
- InChI Key： MEUUMPRYCUQAQB-UHFFFAOYSA-N
- SMILES： S1CC(CCCC1)=O
Computed Properties
- Exact Mass: 130.0453
- Monoisotopic Mass: 130.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 90.5
- 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: 1.1
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- Density: 1.083
- Boiling Point: 215.5°Cat760mmHg
- Flash Point: 95.9°C
- Refractive Index: 1.51
- PSA: 17.07
- LogP: 1.47260
3-Thiepanone Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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