CAS
488-58-4 Purity
>98.0%(LC)
488-58-4 Purity
>98.0%(LC)
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3,5-Bis-(methylthio)isothiazole-4-carbonitrile
CAS
4886-13-9
Catalog Number
ACM4886139
Category
Other Products
Molecular Weight
202.32
Molecular Formula
C6H6N2S3
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Specification
Synonyms
TOSLAB 803524;TIMTEC-BB SBB000412;BUTTPARK 58\40-91;AKOS USSH-0064;3,5-BIS(METHYLTHIO)ISOTHIAZOLE-4-CARBONITRILE;3,5-Bis(methylthio)isothiazole-4-carbonitrile, tech;3,5-di(methylthio)isothiazole-4-carbonitrile;3,5-Bis(methylthio)-4-isothiazolecarbonitrile
IUPAC Name
3,5-bis(methylsulfanyl)-1,2-thiazole-4-carbonitrile
Canonical SMILES
CSC1=C(C(=NS1)SC)C#N
InChI Key
BDBFZCOZJOTIFS-UHFFFAOYSA-N
Boiling Point
236.9ºC at 760mmHg
Melting Point
130-132ºC
Flash Point
97.1ºC
Density
1.41g/cm³
Exact Mass
201.96900
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
2
H-Bond Donor
0
Downstream Synthesis Route 1
- 4886-13-9
- 4886-14-0
Reference: [1]Hatchard,W.R.
[Journal of Organic Chemistry, 1964, vol. 29, p. 665 - 668]
Downstream Synthesis Route 2
- 4886-13-9
- 25882-60-4
Reference: [1]Hoyer,G.A.; Kless,M.
[Tetrahedron Letters, 1969, p. 4265 - 4268]
Downstream Synthesis Route 3
- 4886-13-9
- 26079-04-9
Reference: [1]Hoyer,G.A.; Kless,M.
[Tetrahedron Letters, 1969, p. 4265 - 4268]
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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