Cas no 84145-11-9 (N,N-Diethyl-N',N'-dimethylthioperoxydicarbamic acid)
84145-11-9 structure
Product Name:N,N-Diethyl-N',N'-dimethylthioperoxydicarbamic acid
CAS No:84145-11-9
MF:C8H16N2S4
MW:268.486036300659
CID:733079
Update Time:2023-08-03
N,N-Diethyl-N',N'-dimethylthioperoxydicarbamic acid Chemical and Physical Properties
Names and Identifiers
-
- Thioperoxydicarbonic diamide([(H2N)C(S)]2S2), N,N-diethyl-N',N'-dimethyl- (9CI)
- N,N-Diethyl-N',N'-dimethylthioperoxydicarbamic acid
- N,N-Diethyl-N',N'-dimethylthiuram disulfide
-
- Inchi： 1S/C8H16N2S4/c1-5-10(6-2)8(12)14-13-7(11)9(3)4/h5-6H2,1-4H3
- InChI Key： QNNGULMAPLOXDA-UHFFFAOYSA-N
- SMILES： S(C(N(CC)CC)=S)SC(N(C)C)=S
Computed Properties
- Exact Mass: 157.980442
- Monoisotopic Mass: 157.980442
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 202
- 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: 3.1
- Topological Polar Surface Area: 121
Experimental Properties
- Density: 1.260±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Almost insoluble (0.011 g/l) (25 o C),
N,N-Diethyl-N',N'-dimethylthioperoxydicarbamic acid Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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