Cas no 146796-06-7 (2H-Thieno[3,4-b][1,4]dioxepin-3-ol, 3,4-dihydro-)
![2H-Thieno[3,4-b][1,4]dioxepin-3-ol, 3,4-dihydro- structure](https://ossimg.kuujia.com/scimg/147000/146796-06-7x500.png)
146796-06-7 structure
Product Name:2H-Thieno[3,4-b][1,4]dioxepin-3-ol, 3,4-dihydro-
CAS No:146796-06-7
MF:C7H8O3S
MW:172.201621055603
CID:1317528
PubChem ID:21958363
Update Time:2025-04-20
2H-Thieno[3,4-b][1,4]dioxepin-3-ol, 3,4-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Thieno[3,4-b][1,4]dioxepin-3-ol, 3,4-dihydro-
- 3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-3-ol
- SCHEMBL1632969
- 146796-06-7
- NDVHIVXONKKUGA-UHFFFAOYSA-N
- DTXSID90620796
- AMY31975
-
- Inchi： 1S/C7H8O3S/c8-5-1-9-6-3-11-4-7(6)10-2-5/h3-5,8H,1-2H2
- InChI Key： NDVHIVXONKKUGA-UHFFFAOYSA-N
- SMILES： S1C=C2C(=C1)OCC(CO2)O
Computed Properties
- Exact Mass: 172.01944
- Monoisotopic Mass: 172.01941529g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 128
- 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: 0.7
- Topological Polar Surface Area: 66.9?2
Experimental Properties
- PSA: 38.69
2H-Thieno[3,4-b][1,4]dioxepin-3-ol, 3,4-dihydro- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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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
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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