Cas no 51317-31-8 (Propanoic acid, mercapto-, dodecyl ester)
51317-31-8 structure
Product Name:Propanoic acid, mercapto-, dodecyl ester
CAS No:51317-31-8
MF:C15H30O2S
MW:274.462503910065
CID:1571020
PubChem ID:22251523
Update Time:2025-04-21
Propanoic acid, mercapto-, dodecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, mercapto-, dodecyl ester
- dodecyl 2-sulfanylpropanoate
- DTXSID50623900
- SCHEMBL5829903
- 51317-31-8
-
- Inchi： 1S/C15H30O2S/c1-3-4-5-6-7-8-9-10-11-12-13-17-15(16)14(2)18/h14,18H,3-13H2,1-2H3
- InChI Key： VMOFMVRUKMJXBM-UHFFFAOYSA-N
- SMILES： SC(C)C(=O)OCCCCCCCCCCCC
Computed Properties
- Exact Mass: 274.1968
- Monoisotopic Mass: 274.19665137g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 13
- Complexity: 195
- 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: 6.4
- Topological Polar Surface Area: 27.3?2
Experimental Properties
- PSA: 26.3
Propanoic acid, mercapto-, dodecyl ester Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
51317-31-8 (Propanoic acid, mercapto-, dodecyl ester) Related Products
- 19788-50-2(PROPYL2-MERCAPTOPROPIONATE)
- 19788-49-9(Ethyl 2-mercaptopropionate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 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)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 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)
Recommended suppliers
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
