Cas no 54555-55-4 (2-Heptanol, 1-mercapto-)
2-Heptanol, 1-mercapto- structure
Product Name:2-Heptanol, 1-mercapto-
CAS No:54555-55-4
MF:C7H16OS
MW:148.266341209412
CID:354255
PubChem ID:19983396
Update Time:2025-04-19
2-Heptanol, 1-mercapto- Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptanol, 1-mercapto-
- 1-sulfanylheptan-2-ol
- DTXSID90601666
- 2-hydroxyheptanethiol
- SCHEMBL9185446
- 54555-55-4
- IWQOEJXXWNYAPV-UHFFFAOYSA-N
-
- Inchi： 1S/C7H16OS/c1-2-3-4-5-7(8)6-9/h7-9H,2-6H2,1H3
- InChI Key： IWQOEJXXWNYAPV-UHFFFAOYSA-N
- SMILES： SCC(CCCCC)O
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: 5
- Complexity: 56.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 21.2?2
Experimental Properties
- PSA: 20.23
2-Heptanol, 1-mercapto- Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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