Cas no 14912-30-2 (1,2-Dithiolane-3-carboxylicacid, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (3S)-)
![1,2-Dithiolane-3-carboxylicacid, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (3S)- structure](https://ossimg.kuujia.com/scimg/15000/14912-30-2x500.png)
14912-30-2 structure
Product Name:1,2-Dithiolane-3-carboxylicacid, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (3S)-
CAS No:14912-30-2
MF:C12H19NO2S2
MW:273.414760828018
CID:216366
PubChem ID:442998
Update Time:2025-04-19
1,2-Dithiolane-3-carboxylicacid, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (3S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Dithiolane-3-carboxylicacid, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (3S)-
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (3S)-dithiolane-3-carboxylate
- Brugine
- C10849
- CHEBI:3194
- AKOS040735761
- DTXSID00332035
- AC1L9DTW
- 14912-30-2
- Q27105983
-
- Inchi： 1S/C12H19NO2S2/c1-13-8-2-3-9(13)7-10(6-8)15-12(14)11-4-5-16-17-11/h8-11H,2-7H2,1H3/t8?,9?,10?,11-/m0/s1
- InChI Key： BOJOZZSCQUTEBY-QUBJWBRDSA-N
- SMILES： S1[C@@H](CCS1)C(=O)OC1CC2CCC(C1)N2C
Computed Properties
- Exact Mass: 273.08587
- Monoisotopic Mass: 273.086
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 299
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.1A^2
- XLogP3: 2.2
Experimental Properties
- Color/Form: Oil
- Density: 1.29
- Boiling Point: 372.1°Cat760mmHg
- Flash Point: 178.9°C
- Refractive Index: 1.61
- PSA: 29.54
1,2-Dithiolane-3-carboxylicacid, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (3S)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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