Cas no 62774-74-7 (Benzenethiol, 2,5-dipropoxy-)
Benzenethiol, 2,5-dipropoxy- structure
Product Name:Benzenethiol, 2,5-dipropoxy-
CAS No:62774-74-7
MF:C12H18O2S
MW:226.335122585297
CID:431675
PubChem ID:12277282
Update Time:2025-04-19
Benzenethiol, 2,5-dipropoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenethiol, 2,5-dipropoxy-
- 2,5-dipropoxybenzenethiol
- DTXSID70483745
- 62774-74-7
-
- Inchi： 1S/C12H18O2S/c1-3-7-13-10-5-6-11(12(15)9-10)14-8-4-2/h5-6,9,15H,3-4,7-8H2,1-2H3
- InChI Key： XNYOUYUZFIYIFC-UHFFFAOYSA-N
- SMILES： SC1C=C(C=CC=1OCCC)OCCC
Computed Properties
- Exact Mass: 226.10284
- Monoisotopic Mass: 226.10275099g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 164
- 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: 3.8
- Topological Polar Surface Area: 19.5?2
Experimental Properties
- PSA: 18.46
Benzenethiol, 2,5-dipropoxy- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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