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21303-50-4 | 5-Methylbenzo[d]thiazole-2-thiol
CAS No: 21303-50-4 Catalog No: AG0072Z0 MDL No:MFCD11044825
Product Description
Catalog Number:
AG0072Z0
Chemical Name:
5-Methylbenzo[d]thiazole-2-thiol
CAS Number:
21303-50-4
Molecular Formula:
C8H7NS2
Molecular Weight:
181.2779
MDL Number:
MFCD11044825
IUPAC Name:
5-methyl-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C8H7NS2/c1-5-2-3-7-6(4-5)9-8(10)11-7/h2-4H,1H3,(H,9,10)
InChI Key:
ILDUPWKUQLPLKK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(s2)S
Properties
Complexity:
181
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:
2
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:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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