Cas no 13753-71-4 (Acetic acid,2-(dodecylthio)-)
Acetic acid,2-(dodecylthio)- structure
Product Name:Acetic acid,2-(dodecylthio)-
CAS No:13753-71-4
MF:C14H28O2S
MW:260.435923576355
CID:154078
PubChem ID:83701
Update Time:2025-04-19
Acetic acid,2-(dodecylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2-(dodecylthio)-
- (dodecylthio)acetic acid
- 2-dodecylsulfanylacetic acid
- (dodecylsulfanyl)acetic acid
- Acetic acid, (dodecylthio)-
- Dodecylthioacetic acid
- LZQSKUQISWIZQS-UHFFFAOYSA-N
- DTXSID8073398
- NSC-408523
- NS00024464
- NSC408523
- DODECYLSULFANYL-ACETIC ACID
- SCHEMBL1405335
- AKOS005600543
- AB01330499-02
- EINECS 237-336-4
- NCGC00337073-01
- dodecylmercaptoacetic acid
- NSC 408523
- 13753-71-4
- 2-(dodecylsulfanyl)acetic acid
-
- Inchi： 1S/C14H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h2-13H2,1H3,(H,15,16)
- InChI Key： LZQSKUQISWIZQS-UHFFFAOYSA-N
- SMILES： S(CC(=O)O)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 260.18114
- Monoisotopic Mass: 260.18100131g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 13
- Complexity: 172
- 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: 6.1
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
Acetic acid,2-(dodecylthio)- Related Literature
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
13753-71-4 (Acetic acid,2-(dodecylthio)-) Related Products
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