14-BUTANEDITHIOLDIACETATE97
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14-BUTANEDITHIOLDIACETATE97
structure -
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CAS No:
6633-90-5
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Formula:
CH3C(O)S(CH2)4SC(O)CH3
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Chemical Name:
14-BUTANEDITHIOLDIACETATE97
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Synonyms:
1,4-bis-acetylsulfanylbutane;1 4-BUTANEDITHIOL DIACETATE 97;Thioacetic acid S-(4-acetylsulfanylbutyl)ester;1,4-Bis-acetylsulfanylbutane, Thioacetic acid S-(4-acetylsulfanylbutyl)ester
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CAS No:
Characteristics
84.74000
2.32600
1.128 g/mL at 25ºC(lit.)
284-285 °C(lit.)
>230 °F
n20/D 1.5200(lit.)
Safety Information
UN 3334
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:206.3
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:206.04352203
Monoisotopic Mass:206.04352203
Topological Polar Surface Area:84.7
Heavy Atom Count:12
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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