Cas no 59358-12-2 (Propanoic acid,3-(pentylthio)-)
59358-12-2 structure
Product Name:Propanoic acid,3-(pentylthio)-
CAS No:59358-12-2
MF:C8H16O2S
MW:176.276441574097
CID:384572
PubChem ID:222480
Update Time:2025-04-19
Propanoic acid,3-(pentylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-(pentylthio)-
- 3-pentylsulfanylpropanoic acid
- 3-(pentylsulfanyl)propanoic acid
- 3-Amylthiopropionsaeure
- 3-Pentylthiopropanoic acid
- AC1L5BTP
- AC1Q5WGY
- CTK5A9854
- NSC8525
- SCHEMBL4554805
- NSC-8525
- AKOS000174112
- 59358-12-2
- DTXSID30278619
-
- Inchi： 1S/C8H16O2S/c1-2-3-4-6-11-7-5-8(9)10/h2-7H2,1H3,(H,9,10)
- InChI Key： GHSWLGUUCRYSIR-UHFFFAOYSA-N
- SMILES： S(CCC(=O)O)CCCCC
Computed Properties
- Exact Mass: 176.08718
- Monoisotopic Mass: 176.0871
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 104
- 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
- Topological Polar Surface Area: 62.6
- XLogP3: 2.2
Experimental Properties
- Density: 1.041
- Boiling Point: 293.7°Cat760mmHg
- Flash Point: 131.4°C
- Refractive Index: 1.487
- PSA: 37.3
- LogP: 2.38450
Propanoic acid,3-(pentylthio)- Related Literature
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
59358-12-2 (Propanoic acid,3-(pentylthio)-) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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