BTO-1
-
BTO-1
structure -
-
CAS No:
40647-02-7
-
Formula:
C9H4N4O4S
-
Chemical Name:
BTO-1
-
Synonyms:
BTO-1;CHEMBL492008;5-Cyano-7-nitro-3-oxido-1,3-benzothiazol-3-ium-2-carboxamide;5-Cyano-7-nitro-3-oxy-benzothiazole-2-carboxylic acid amide;b--to1--;5-Cyano-7-nitro-2-benzothiazolecarboxamide-3-oxide;SCHEMBL5171474;DTXSID50429520;HMS3229L17;HMS3260F21
-
CAS No:
Safety Information
3
20/21/22-36/37/38
26-36/37
Xn
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:264.22
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:263.99532580
Monoisotopic Mass:263.99532580
Topological Polar Surface Area:166
Heavy Atom Count:18
Complexity:430
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes