Home Nitriles 5-Hydroxybenzo[d]thiazole-2-carbonitrile

5-Hydroxybenzo[d]thiazole-2-carbonitrile

CAS No.:
7267-38-1
Catalog Number:
AG0062TZ
Molecular Formula:
C8H4N2OS
Molecular Weight:
176.1952
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Product Description
Catalog Number:
AG0062TZ
Chemical Name:
5-Hydroxybenzo[d]thiazole-2-carbonitrile
CAS Number:
7267-38-1
Molecular Formula:
C8H4N2OS
Molecular Weight:
176.1952
MDL Number:
MFCD18415936
IUPAC Name:
5-hydroxy-1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C8H4N2OS/c9-4-8-10-6-3-5(11)1-2-7(6)12-8/h1-3,11H
InChI Key:
DTXINWSDUBHXMK-UHFFFAOYSA-N
SMILES:
N#Cc1nc2c(s1)ccc(c2)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:
2.1  
Properties