Cas no 41887-79-0 (2,3-dihydro-1λ6-benzothiepine 1,1-dioxide)
41887-79-0 structure
Product Name:2,3-dihydro-1λ6-benzothiepine 1,1-dioxide
CAS No:41887-79-0
MF:C10H10O2S
MW:194.250201702118
CID:927490
PubChem ID:346011
Update Time:2025-04-19
2,3-dihydro-1λ6-benzothiepine 1,1-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dihydro-1λ6-benzothiepine 1,1-dioxide
- 2,3-dihydro-1
- 2,3-Dihydro-1-benzothiepin-1,1-dioxid
- 2,3-dihydro-benzo[b]thiepin-1,1-dioxide
- 2,3-dihydro-benzo[b]thiepine 1,1-dioxide
- 2,3-Dihydro-benzo< b> thiepin-1,1-dioxid
- AC1L8412
- NSC404008
- 2,3-Dihydro-1H-1lambda~6~-benzothiepine-1,1-dione
- 41887-79-0
- DTXSID90323437
- NSC-404008
- SCHEMBL10517257
-
- Inchi： 1S/C10H10O2S/c11-13(12)8-4-3-6-9-5-1-2-7-10(9)13/h1-3,5-7H,4,8H2
- InChI Key： FJMQXAJQFNWGKL-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2C=CCC1)(=O)=O
Computed Properties
- Exact Mass: 194.0402
- Monoisotopic Mass: 194.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 297
- 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: 2
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 34.14
- LogP: 2.95800
2,3-dihydro-1λ6-benzothiepine 1,1-dioxide Related Literature
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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