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55690-60-3 | 5-Methoxybenzo[d]thiazole-2-thiol
CAS No: 55690-60-3 Catalog No: AG003MU7 MDL No:MFCD00185941
Product Description
Catalog Number:
AG003MU7
Chemical Name:
5-Methoxybenzo[d]thiazole-2-thiol
CAS Number:
55690-60-3
Molecular Formula:
C8H7NOS2
Molecular Weight:
197.2773
MDL Number:
MFCD00185941
IUPAC Name:
5-methoxy-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C8H7NOS2/c1-10-5-2-3-7-6(4-5)9-8(11)12-7/h2-4H,1H3,(H,9,11)
InChI Key:
JDPITNFDYXOKRM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(s2)S
EC Number:
259-755-1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.27g/mol
Monoisotopic Mass:
196.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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