Cas no 4385-42-6 ( )
structure
Product Name:
CAS No:4385-42-6
MF:C4H4O2S2
MW:148.203358650208
CID:929211
PubChem ID:319007
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Dithiane-2,5-dione
- [1,4]Dithian-2,5-dion
- [1,4]dithiane-2,5-dione
- AC1L7ZAL
- NSC260448
- SureCN1170685
- Thioglykolid
- NSC-260448
- SCHEMBL1170685
- 4385-42-6
- DTXSID90312664
- JISRAAJAPNOYFD-UHFFFAOYSA-N
-
-
- Inchi： 1S/C4H4O2S2/c5-3-1-7-4(6)2-8-3/h1-2H2
- InChI Key： JISRAAJAPNOYFD-UHFFFAOYSA-N
- SMILES： S1C(CSC(C1)=O)=O
Computed Properties
- Exact Mass: 147.96532
- Monoisotopic Mass: 147.96527171g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 116
- 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: 0.9
- Topological Polar Surface Area: 84.7?2
Experimental Properties
- PSA: 34.14
Related Literature
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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