Cas no 36452-66-1 (calcium bis[3-(dodecylthio)propionate])
36452-66-1 structure
Product Name:calcium bis[3-(dodecylthio)propionate]
CAS No:36452-66-1
MF:C30H58CaO4S2
MW:586.98712682724
CID:921370
PubChem ID:118983
Update Time:2025-04-19
calcium bis[3-(dodecylthio)propionate] Chemical and Physical Properties
Names and Identifiers
-
- calcium bis[3-(dodecylthio)propionate]
- Calcium 3-dodecylthiopropanoate
- Calcium 3-laurylthiopropionate
- Calcium bis(3-(dodecylthio)propionate)
- calcium bis[3-(dodecylsulfanyl)propanoate]
- Propanoic acid, 3-(dodecylthio)-, calcium salt
- Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1)
- calcium 3-dodecylsulfanylpropanoate
- EINECS 253-046-0
- DB-254151
- DTXSID30890835
- NS00089115
- 36452-66-1
- WPBKLXIJCPTIAL-UHFFFAOYSA-L
-
- Inchi: 1S/2C15H30O2S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2
- InChI Key: WPBKLXIJCPTIAL-UHFFFAOYSA-L
- SMILES: [Ca+2].S(CCC(=O)[O-])CCCCCCCCCCCC.S(CCC(=O)[O-])CCCCCCCCCCCC
Computed Properties
- Exact Mass: 586.34054
- Monoisotopic Mass: 586.340243
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 37
- Rotatable Bond Count: 26
- Complexity: 178
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 131
Experimental Properties
- Boiling Point: 397.5°C at 760 mmHg
- Flash Point: 194.2°C
- PSA: 80.26
calcium bis[3-(dodecylthio)propionate] Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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