Cas no 5324-77-6 (5-chloro-1,2,4,5-tetrahydro-3λ6-benzothiepine 3,3-dioxide)
5324-77-6 structure
Product Name:5-chloro-1,2,4,5-tetrahydro-3λ6-benzothiepine 3,3-dioxide
CAS No:5324-77-6
MF:C10H11ClO2S
MW:230.711140871048
CID:1581645
PubChem ID:220256
Update Time:2025-04-21
5-chloro-1,2,4,5-tetrahydro-3λ6-benzothiepine 3,3-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 5-chloro-1,2,4,5-tetrahydro-3λ6-benzothiepine 3,3-dioxide
- AC1L58IR
- NSC91062
- 1-Chlor-1,2,4,5-tetrahydro-3-benzothiepin-3,3-dioxid
- 1-Chloro-1,2,4,5-tetrahydro-3-benzothiepine 3,3-dioxide
- 5-chloro-1,2,4,5-tetrahydro-3
- NSC2730
- AR-1C2227
- AC1Q3QAR
- CTK4J7340
- NSC-91062
- NSC-2730
- 5324-77-6
- 5-chloro-1,2,4,5-tetrahydro-3$l^{6}-benzothiepine 3,3-dioxide
- NSC 91062
-
- Inchi： 1S/C10H11ClO2S/c11-10-7-14(12,13)6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-7H2
- InChI Key： DWFHOYZCDGUMAH-UHFFFAOYSA-N
- SMILES： ClC1C2C=CC=CC=2CCS(C1)(=O)=O
Computed Properties
- Exact Mass: 230.01693
- Monoisotopic Mass: 230.017
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 294
- 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: 1.8
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- Density: 1.36
- Boiling Point: 442.9°C at 760 mmHg
- Flash Point: 221.7°C
- Refractive Index: 1.589
- PSA: 34.14
- LogP: 3.01820
5-chloro-1,2,4,5-tetrahydro-3λ6-benzothiepine 3,3-dioxide Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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