Cas no 87474-19-9 (1,4-Benzodithiin, 5-bromo-2,3-dihydro-)
87474-19-9 structure
Product Name:1,4-Benzodithiin, 5-bromo-2,3-dihydro-
CAS No:87474-19-9
MF:C8H7BrS2
MW:247.175178766251
CID:655965
PubChem ID:15090097
Update Time:2025-04-19
1,4-Benzodithiin, 5-bromo-2,3-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzodithiin, 5-bromo-2,3-dihydro-
- 5-bromo-2,3-dihydro-1,4-benzodithiine
- DTXSID90568048
- 87474-19-9
-
- Inchi： 1S/C8H7BrS2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5H2
- InChI Key： JDWDRBLISMFVKY-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC2=C1SCCS2
Computed Properties
- Exact Mass: 245.91726g/mol
- Monoisotopic Mass: 245.91726g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 140
- 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: 3.4
- Topological Polar Surface Area: 50.6?2
1,4-Benzodithiin, 5-bromo-2,3-dihydro- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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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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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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