8-(1H-imidazol-5-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one


Chemical Name: 8-(1H-imidazol-5-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one
CAS Number: 608512-97-6
Product Number: AG00EBSF(AGN-PC-0BSA8R)
Synonyms:
MDL No: MFCD06735404
Molecular Formula: C13H8N4OS
Molecular Weight: 268.2938

Identification/Properties


Properties
MP:
>225°C (dec.)
Storage:
-10 ℃;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
268.3g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
268.041882g/mol
Monoisotopic Mass:
268.041882g/mol
Topological Polar Surface Area:
98.9Ų
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
427
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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