Cas no 54451-16-0 (Methylthio, (diethylamino)thioxo-)
54451-16-0 structure
Product Name:Methylthio, (diethylamino)thioxo-
CAS No:54451-16-0
MF:C5H11NS2
MW:149.27754
CID:354546
Methylthio, (diethylamino)thioxo- Chemical and Physical Properties
Names and Identifiers
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- Methylthio, (diethylamino)thioxo-
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- Inchi： InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)
- InChI Key： LMBWSYZSUOEYSN-UHFFFAOYSA-N
- SMILES： CCN(C(=S)S)CC
Computed Properties
- Exact Mass: 149.033
- Monoisotopic Mass: 149.033
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 78.5
- 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: 36.3A^2
Experimental Properties
- Boiling Point: 176.4°C at 760 mmHg
- Flash Point: 60.5°C
Methylthio, (diethylamino)thioxo- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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