Cas no 63826-53-9 (2-Thiophenemethanol, 3,4,5-trimethyl-)
63826-53-9 structure
Product Name:2-Thiophenemethanol, 3,4,5-trimethyl-
CAS No:63826-53-9
MF:C8H12OS
MW:156.245281219482
CID:1659816
Update Time:2024-09-12
2-Thiophenemethanol, 3,4,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
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- 2-Thiophenemethanol, 3,4,5-trimethyl-
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- Inchi： 1S/C8H12OS/c1-5-6(2)8(4-9)10-7(5)3/h9H,4H2,1-3H3
- InChI Key： IVUOHCORVWJMDX-UHFFFAOYSA-N
- SMILES： C1(CO)SC(C)=C(C)C=1C
Computed Properties
- Exact Mass: 156.06096
Experimental Properties
- Density: 1.103±0.06 g/cm3(Predicted)
- Boiling Point: 262.2±35.0 °C(Predicted)
- PSA: 20.23
- pka: 13.95±0.10(Predicted)
2-Thiophenemethanol, 3,4,5-trimethyl- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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