1,1-Bis(methylthio)-2-nitroethylene
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1,1-Bis(methylthio)-2-nitroethylene
structure -
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CAS No:
13623-94-4
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Formula:
C4H7NO2S2
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Chemical Name:
1,1-Bis(methylthio)-2-nitroethylene
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Synonyms:
Ethene,1,1-bis(methylthio)-2-nitro-;Ketene,nitro-,dimethyl mercaptole;Ethylene,1,1-bis(methylthio)-2-nitro-;1,1-Bis(methylthio)-2-nitroethene;2,2-Bis(methylthio)-1-nitroethylene;1,1-Bis(methylthio)-2-nitroethylene;1-Nitro-2,2-bis(methylthio)ethylene;1-Nitro-2,2-bis(methylmercapto)ethylene;1-Nitro-2,2-bis(methylthio)ethene;1,1-Bis(methylsulfanyl)-2-nitroethene;NSC 241513;(2-Nitroethene-1,1-diyl)bis(methylsulfane)
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CAS No:
1,1-Bis(methylthio)-2-nitroethylene Basic Attributes
165.23
165.23
1524538
237-108-4
38A002C515
241513
DTXSID90159738
2930909090
Characteristics
96.42000
0.99
Yellow Powder
1.3±0.1 g/cm3
125-126 °C
248.6±35.0 °C at 760 mmHg
104.1±25.9 °C
1.575
2-8°C
0.0379mmHg at 25°C
Safety Information
UN 3335
3
36/37/38
26-37/39-36
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 50 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,1-Bis(methylthio)-2-nitroethylene Use and Manufacturing
Bis(methylthio)-2-nitroethylene is a synthetic intermediate as well as an Impurity of the ulcerostatic agent, Ranitidine (R120000).
Computed Properties
Molecular Weight:165.2
XLogP3:1.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:164.99182081
Monoisotopic Mass:164.99182081
Topological Polar Surface Area:96.4
Heavy Atom Count:9
Complexity:123
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,1-Bis(methylthio)-2-nitroethylene
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