Cas no 26544-03-6 (tert-Pentadecanethiol(9CI))
tert-Pentadecanethiol(9CI) structure
Product Name:tert-Pentadecanethiol(9CI)
CAS No:26544-03-6
MF:C15H32S
MW:244.479583740234
CID:285821
PubChem ID:20401662
Update Time:2025-04-19
tert-Pentadecanethiol(9CI) Chemical and Physical Properties
Names and Identifiers
-
- tert-Pentadecanethiol(9CI)
- tert-Pentadecanethiol
- t-pentadecyl mercaptan
- SCHEMBL3620321
- EINECS 247-772-7
- 26544-03-6
-
- Inchi： 1S/C15H32S/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h16H,4-14H2,1-3H3
- InChI Key： WNWMCHBYMOTRGZ-UHFFFAOYSA-N
- SMILES： SC(C)(C)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 244.22247219g/mol
- Monoisotopic Mass: 244.22247219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 140
- 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: 7.3
- Topological Polar Surface Area: 1?2
tert-Pentadecanethiol(9CI) Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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