Cas no 131215-91-3 (1-Heptanol, 7-mercapto-)
1-Heptanol, 7-mercapto- structure
Product Name:1-Heptanol, 7-mercapto-
CAS No:131215-91-3
MF:C7H16OS
MW:148.266341209412
CID:1227620
PubChem ID:15264021
Update Time:2025-04-20
1-Heptanol, 7-mercapto- Chemical and Physical Properties
Names and Identifiers
-
- 1-Heptanol, 7-mercapto-
- 7-sulfanylheptan-1-ol
- 7-mercapto-1-Heptanol
- SCHEMBL63223
- 7-mercaptoheptanol
- LSLIREXBGQDXDX-UHFFFAOYSA-N
- DTXSID70570664
- 131215-91-3
-
- Inchi： 1S/C7H16OS/c8-6-4-2-1-3-5-7-9/h8-9H,1-7H2
- InChI Key： LSLIREXBGQDXDX-UHFFFAOYSA-N
- SMILES： SCCCCCCCO
Computed Properties
- Exact Mass: 148.09228
- Monoisotopic Mass: 148.09218630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 6
- Complexity: 48.2
- 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: 1.8
- Topological Polar Surface Area: 21.2?2
Experimental Properties
- PSA: 20.23
1-Heptanol, 7-mercapto- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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