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4845-64-1 | 2-MERCAPTO-NAPHTH[1,2-D]THIAZOLE
CAS No: 4845-64-1 Catalog No: AG00E063 MDL No:
Product Description
Catalog Number:
AG00E063
Chemical Name:
2-MERCAPTO-NAPHTH[1,2-D]THIAZOLE
CAS Number:
4845-64-1
IUPAC Name:
1H-benzo[e][1,3]benzothiazole-2-thione
InChI:
InChI=1S/C11H7NS2/c13-11-12-10-8-4-2-1-3-7(8)5-6-9(10)14-11/h1-6H,(H,12,13)
InChI Key:
MRORKWHSOOKUDV-UHFFFAOYSA-N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.002g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.304g/mol
Monoisotopic Mass:
217.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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