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CAS No.: | 3570-55-6 |
---|---|
Name: | Bis(2-mercaptoethyl) sulfide |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C4H10S3 |
Molecular Weight: | 154.321 |
Synonyms: | Ethanethiol,2,2'-thiodi- (6CI,7CI,8CI);1,4,7-Trithiaheptane;1,5-Dimercapto-3-thiapentane;1-Mercapto-2-(mercaptoethylthio)ethane;2-Mercaptoethyl sulfide;2-Mercaptoethyl thioether;2-[(2-Mercaptoethyl)thio]ethanethiol;3-Thia-1,5-pentanedithiol;Bis(2-mercaptoethyl) sulfide;Bis(2-sulfanylethyl) sulfide; |
EINECS: | 222-671-0 |
Density: | 1.129 g/cm3 |
Melting Point: | -11°C |
Boiling Point: | 275.983 °C at 760 mmHg |
Flash Point: | 90.556 °C |
Solubility: | 620mg/L at 20℃ |
Appearance: | Liquid with a stench. |
Risk Codes: | 36/37/38 |
Safety: | 23-24/25 |
Transport Information: | UN 2810 6.1/PG 3 |
PSA: | 102.90000 |
LogP: | 1.57920 |
Conditions | Yield |
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With hydrogenchloride; hydrazine hydrate; thiourea In 5,5-dimethyl-1,3-cyclohexadiene; water | A n/a B 93% |
Conditions | Yield |
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With sodium hydroxide; hydrazine hydrate Heating; | A 37% B 37% |
3-thiapentan-1,5-dithiol
Conditions | Yield |
---|---|
With sodium hydroxide; hydrazine hydrate at 80 - 90℃; for 3h; | 34% |
ethane-1,2-dithiol
A
3-thiapentan-1,5-dithiol
B
3,6-dithiaoctan-1,8-dithiol
C
2,2’-[thiobis(2,1-ethanediylthio)]bis(ethanethiol)
Conditions | Yield |
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With potassium carbonate In acetonitrile at 20℃; for 4.33h; Inert atmosphere; Reflux; | A 29% B 25% C 15% |
Conditions | Yield |
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With methanol; hydrogen sulfide at 60℃; |
Conditions | Yield |
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With ethanol; potassium hydrosulfide |
Conditions | Yield |
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und Verseifung des entstandenen Isothioharnstoff-Derivats mit Kalilauge; |
Conditions | Yield |
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Behandeln des Reaktionsprodukts mit wss.Natronlauge; |
Conditions | Yield |
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Behandeln des Reaktionsprodukts mit wss.Natronlauge; |
bis-(2-acetylsulfanyl-ethyl)-sulfane
3-thiapentan-1,5-dithiol
Conditions | Yield |
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With hydrogenchloride; methanol |
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The Ethanethiol,2,2'-thiobis-, with CAS registry number 3570-55-6, has the systematic name of 2,2'-sulfanediyldiethanethiol. And its IUPAC name is 2-(2-sulfanylethylsulfanyl)ethanethiol. And this chemical should be stored in cool, dry place in tightly closed containers. What's more, its EINECS is 222-671-0.
Physical properties of Ethanethiol,2,2'-thiobis-: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 22.16; (6)ACD/BCF (pH 7.4): 21.98; (7)ACD/KOC (pH 5.5): 319.69; (8)ACD/KOC (pH 7.4): 317.07; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 75.9 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 44.37 cm3; (15)Molar Volume: 136.6 cm3; (16)Polarizability: 17.58×10-24cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Enthalpy of Vaporization: 49.38 kJ/mol; (19)Vapour Pressure: 0.00829 mmHg at 25°C.
Uses of p-Chloropropiophenone: it can be used to produce [1,2,5]trithiepane. This reaction will need reagents iron (III)-chloride-hexahydrate, acetic acid and diethyl ether.
When you are using this chemical, please be cautious about it as the following:
The Ethanethiol,2,2'-thiobis- irritates to eyes, respiratory system and skin. When use this chemical, do not breathe vapour and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: SCCSCCS
(2)InChI: InChI=1/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2
(3)InChIKey: KSJBMDCFYZKAFH-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2
(5)Std. InChIKey: KSJBMDCFYZKAFH-UHFFFAOYSA-N