Cas no 16900-07-5 (Octane, 1-(butylthio)-)
Octane, 1-(butylthio)- structure
Product Name:Octane, 1-(butylthio)-
CAS No:16900-07-5
MF:C12H26S
MW:202.399842739105
CID:1350860
PubChem ID:519336
Update Time:2025-04-20
Octane, 1-(butylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Octane, 1-(butylthio)-
- 1-butylsulfanyloctane
- butyl octyl sulfide
- 1-(Butylthio)octane
- SCHEMBL198952
- butyl-octyl-sulfide
- 5-Thiatridecane
- UNIAPWPIAGJFDG-UHFFFAOYSA-N
- 16900-07-5
- Sulfide, butyl octyl
- DTXSID90333975
- 1-(Butylsulfanyl)octane #
-
- Inchi： 1S/C12H26S/c1-3-5-7-8-9-10-12-13-11-6-4-2/h3-12H2,1-2H3
- InChI Key： UNIAPWPIAGJFDG-UHFFFAOYSA-N
- SMILES： S(CCCC)CCCCCCCC
Computed Properties
- Exact Mass: 202.17568
- Monoisotopic Mass: 202.17552200g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 10
- Complexity: 81.2
- 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
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- Density: 0.8420
- Melting Point: -18°C (estimate)
- Boiling Point: 250.55°C (estimate)
- Refractive Index: 1.4523 (estimate)
- PSA: 0
Octane, 1-(butylthio)- Related Literature
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Danlei Xiang Nanoscale, 2021,13, 5497-5506
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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