Cas no 105836-00-8 (1-Octadecanol, 3,4,12,13-tetrakis(methylthio)-, acetate)
105836-00-8 structure
Product Name:1-Octadecanol, 3,4,12,13-tetrakis(methylthio)-, acetate
CAS No:105836-00-8
MF:C24H48O2S4
MW:496.896722793579
CID:1164645
Update Time:2024-07-26
1-Octadecanol, 3,4,12,13-tetrakis(methylthio)-, acetate Chemical and Physical Properties
Names and Identifiers
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- 1-Octadecanol, 3,4,12,13-tetrakis(methylthio)-, acetate
- 1-Octadecanol, 3,4,12,13-tetrakis(methylthio)-, 1-acetate
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- Inchi： 1S/C24H48O2S4/c1-7-8-12-15-21(27-3)22(28-4)16-13-10-9-11-14-17-23(29-5)24(30-6)18-19-26-20(2)25/h21-24H,7-19H2,1-6H3
- InChI Key： OXWSXNFJPRRUMW-UHFFFAOYSA-N
- SMILES： C(OC(=O)C)CC(SC)C(SC)CCCCCCCC(SC)C(SC)CCCCC
Computed Properties
- Exact Mass: 514.2646
Experimental Properties
- Density: 1.023±0.06 g/cm3(Predicted)
- Boiling Point: 583.9±45.0 °C(Predicted)
- PSA: 57.53
1-Octadecanol, 3,4,12,13-tetrakis(methylthio)-, acetate Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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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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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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