Cas no 114833-57-7 (4-decoxybenzenethiol)
4-decoxybenzenethiol structure
Product Name:4-decoxybenzenethiol
CAS No:114833-57-7
MF:C16H26OS
MW:266.442043781281
CID:2613385
PubChem ID:23437524
Update Time:2025-04-21
4-decoxybenzenethiol Chemical and Physical Properties
Names and Identifiers
-
- 4-decoxybenzenethiol
- DTXSID80634120
- 114833-57-7
- SCHEMBL6741884
- 4-(Decyloxy)benzene-1-thiol
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- Inchi： 1S/C16H26OS/c1-2-3-4-5-6-7-8-9-14-17-15-10-12-16(18)13-11-15/h10-13,18H,2-9,14H2,1H3
- InChI Key： IBDCSVQRRHZUGW-UHFFFAOYSA-N
- SMILES： SC1C=CC(=CC=1)OCCCCCCCCCC
Computed Properties
- Exact Mass: 266.17043662Da
- Monoisotopic Mass: 266.17043662Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 176
- 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: 6.7
- Topological Polar Surface Area: 10.2?2
4-decoxybenzenethiol Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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