Cas no 101418-33-1 (ethanamine, 2,2'-dithiobis-, calcium salt (1:1))
101418-33-1 structure
Product Name:ethanamine, 2,2'-dithiobis-, calcium salt (1:1)
CAS No:101418-33-1
MF:C4H12CaN2S2
MW:192.359477043152
CID:1129107
PubChem ID:58345
Update Time:2025-04-20
ethanamine, 2,2'-dithiobis-, calcium salt (1:1) Chemical and Physical Properties
Names and Identifiers
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- ethanamine, 2,2'-dithiobis-, calcium salt (1:1)
- calcium,2-(2-aminoethyldisulfanyl)ethanamine
- 101418-33-1
- 2,2'-Dithiobisethylamine calcium salt
- DTXSID00143921
- ETHYLAMINE, 2,2'-DITHIOBIS-, CALCIUM SALT
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- Inchi： 1S/C4H12N2S2.Ca/c5-1-3-7-8-4-2-6;/h1-6H2;/q;+2
- InChI Key： GZLPHDXOPWOHAL-UHFFFAOYSA-N
- SMILES： [Ca+2].S(CCN)SCCN
Computed Properties
- Exact Mass: 192.00696
- Monoisotopic Mass: 152.04419
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 5
- Complexity: 37
- 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
- Topological Polar Surface Area: 103
Experimental Properties
- Boiling Point: 264.8°C at 760 mmHg
- Flash Point: 114°C
- PSA: 52.04
- LogP: 1.68580
ethanamine, 2,2'-dithiobis-, calcium salt (1:1) Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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