Decyl isothiocyanate
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Decyl isothiocyanate
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CAS No:
24540-94-1
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Formula:
C11H21NS
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Chemical Name:
Decyl isothiocyanate
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Synonyms:
Decane,1-isothiocyanato-;Isothiocyanic acid,decyl ester;1-Isothiocyanatodecane;Decyl isothiocyanate
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CAS No:
Safety Information
II
6.1
2810
20/22-36/38
26-36/37/39
P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
Computed Properties
Molecular Weight:199.36
XLogP3:6.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:199.13947085
Monoisotopic Mass:199.13947085
Topological Polar Surface Area:44.4
Heavy Atom Count:13
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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