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939-69-5 | 2-CYANO-6-HYDROXYBENZOTHIAZOLE
CAS No: 939-69-5 Catalog No: AG00GSOM MDL No:MFCD00296905
Product Description
Catalog Number:
AG00GSOM
Chemical Name:
2-CYANO-6-HYDROXYBENZOTHIAZOLE
CAS Number:
939-69-5
Molecular Formula:
C8H4N2OS
Molecular Weight:
176.1952
MDL Number:
MFCD00296905
IUPAC Name:
6-hydroxy-1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C8H4N2OS/c9-4-8-10-6-2-1-5(11)3-7(6)12-8/h1-3,11H
InChI Key:
SQAVNBZDECKYOT-UHFFFAOYSA-N
SMILES:
N#Cc1nc2c(s1)cc(cc2)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.193g/mol
Monoisotopic Mass:
176.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Applications of luciferin biosynthesis: Bioluminescence assays for l-cysteine and luciferase. | Analytical biochemistry 20100115 |
| Oxyluciferin, a luminescence product of firefly luciferase, is enzymatically regenerated into luciferin. | The Journal of biological chemistry 20010928 |
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