4-Isothiocyanatobenzenesulfonamide
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4-Isothiocyanatobenzenesulfonamide
structure -
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CAS No:
51908-29-3
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Formula:
C7H6N2O2S2
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Chemical Name:
4-Isothiocyanatobenzenesulfonamide
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Synonyms:
Benzenesulfonamide,4-isothiocyanato-;Isothiocyanic acid,p-sulfamoylphenyl ester;4-Isothiocyanatobenzenesulfonamide;p-Sulfamoylphenyl isothiocyanate;4-(Aminosulfonyl)phenyl isothiocyanate
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CAS No:
4-Isothiocyanatobenzenesulfonamide Basic Attributes
214.26
214.26
JA8KJ8MS2S
DTXSID90199871
2935009090
Characteristics
113
1.81
1.5±0.1 g/cm3
212-214 °C (decomp)
418.2±47.0 °C at 760 mmHg
206.7±29.3 °C
1.659
Safety Information
IRRITANT
2811
20/21/22-36/37/38
26-36/37/39
Xi
P261, P272, P280, P302+P352, P321, P333+P313, P363, P501
H317
|Warning|H317 (92.68%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:214.3
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:213.98706979
Monoisotopic Mass:213.98706979
Topological Polar Surface Area:113
Heavy Atom Count:13
Complexity:306
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Isothiocyanatobenzenesulfonamide
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