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180724-75-8 | 6-Benzothiazolethiol,2-methyl-(9CI)
CAS No: 180724-75-8 Catalog No: AG00AV0Y MDL No:
Product Description
Catalog Number:
AG00AV0Y
Chemical Name:
6-Benzothiazolethiol,2-methyl-(9CI)
CAS Number:
180724-75-8
IUPAC Name:
2-methyl-1,3-benzothiazole-6-thiol
InChI:
InChI=1S/C8H7NS2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h2-4,10H,1H3
InChI Key:
DQXVFHHVBSFVIT-UHFFFAOYSA-N
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.002g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.271g/mol
Monoisotopic Mass:
181.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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