[(Ethylthio)methyl]benzene
-
![[(Ethylthio)methyl]benzene structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9a0edf5e53484e5e823e299eaf95d9f5.png "[(Ethylthio)methyl]benzene")
[(Ethylthio)methyl]benzene
structure -
-
CAS No:
6263-62-3
-
Formula:
C9H12S
-
Chemical Name:
[(Ethylthio)methyl]benzene
-
Synonyms:
Benzene,[(ethylthio)methyl]-;Sulfide,benzyl ethyl;[(Ethylthio)methyl]benzene;α-(Ethylthio)toluene;Benzyl ethyl sulfide;Ethyl benzyl sulfide;(Ethylthiomethyl)benzene;NSC 93920;Benzyl ethyl thioether
-
CAS No:
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Kovats' RI, non-polar column, isothermal | Packed | Apiezon M | 1248. | 130. | isothermal | He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m | Garbuzov, V.G.Misharina, T.A.Aerov, A.F.Golovnya, R.V.Gas chromatographic retention indices for sulphur(II)-containing organic substancesJ. Anal. Chem. USSR (Engl. Transl.)1985, 40, 4, 576-586. |
| Kovats' RI, non-polar column, isothermal | Packed | Apiezon M | 1248. | 130. | isothermal | Chromosorb W, AW/DMS; Column length: 2.1 m | Golovnya, R.V.Garbuzov, V.G.Aerov, A.F.Gas chromatographic characterization of sulfur-containing compounds. 5. Thiophene, furan, and benzene derivativesIzv. Akad. Nauk SSSR Ser. Khim.1978, 11, 2271-2274. |
| Kovats' RI, non-polar column, isothermal | Packed | Apiezon M | 1246. | custom temperature program | N2, Chromosorb W AW/DMCS; Column length: 5.6 m; Program: 60C(7min), 100C(7min), 150C isothermal | Golovnya, R.V.Misharina, T.A.Garbuzov, V.G.Medvedyev, F.A.Volatile sulfur containing compounds in simulated meat flavour and their comparison with the constituents of natural aromaNahrung1983, 27, 3, 237-249. |
Computed Properties
Molecular Weight:152.26
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:152.06597156
Monoisotopic Mass:152.06597156
Topological Polar Surface Area:25.3
Heavy Atom Count:10
Complexity:74.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes