Cas no 2432-78-2 (Hexanethioic acid, S-propyl ester)
2432-78-2 structure
Product Name:Hexanethioic acid, S-propyl ester
CAS No:2432-78-2
MF:C9H18OS
MW:174.303621768951
CID:1416810
PubChem ID:538678
Update Time:2025-04-20
Hexanethioic acid, S-propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanethioic acid, S-propyl ester
- DTXSID501314326
- S-Propyl hexanethioate
- 3J57W36LH5
- 2432-78-2
- S-Propyl hexanethioate #
- 1-(propylsulfanyl)hexan-1-one
- XWEXGRZJPGGXCY-UHFFFAOYSA-N
- Hexanethioic acid S-propyl ester
- CHEBI:180249
-
- Inchi: 1S/C9H18OS/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3
- InChI Key: XWEXGRZJPGGXCY-UHFFFAOYSA-N
- SMILES: S(CCC)C(CCCCC)=O
Computed Properties
- Exact Mass: 174.10794
- Monoisotopic Mass: 174.10783637g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 102
- 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: 3.5
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
Hexanethioic acid, S-propyl ester Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
2432-78-2 (Hexanethioic acid, S-propyl ester) Related Products
- 2432-51-1(S-methyl butanethioate)
- 2432-77-1(S-Methyl thiohexanoate)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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