Cas no 62774-44-1 (Benzenethiol, 2,5-dibutoxy-)
Benzenethiol, 2,5-dibutoxy- structure
Product Name:Benzenethiol, 2,5-dibutoxy-
CAS No:62774-44-1
MF:C14H22O2S
MW:254.388283252716
CID:431705
PubChem ID:12277283
Update Time:2025-04-19
Benzenethiol, 2,5-dibutoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenethiol, 2,5-dibutoxy-
- 2,5-dibutoxybenzenethiol
- 62774-44-1
- SCHEMBL9154063
- DTXSID30483746
-
- Inchi： 1S/C14H22O2S/c1-3-5-9-15-12-7-8-13(14(17)11-12)16-10-6-4-2/h7-8,11,17H,3-6,9-10H2,1-2H3
- InChI Key： PBUWMGILUZYALO-UHFFFAOYSA-N
- SMILES： SC1C=C(C=CC=1OCCCC)OCCCC
Computed Properties
- Exact Mass: 254.13416
- Monoisotopic Mass: 254.13405111g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 187
- 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: 4.5
- Topological Polar Surface Area: 19.5?2
Experimental Properties
- PSA: 18.46
Benzenethiol, 2,5-dibutoxy- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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