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2268-79-3 | 6-Methylbenzo[d]thiazole-2-thiol
CAS No: 2268-79-3 Catalog No: AG007O1G MDL No:MFCD07774732
Product Description
Catalog Number:
AG007O1G
Chemical Name:
6-Methylbenzo[d]thiazole-2-thiol
CAS Number:
2268-79-3
Molecular Formula:
C8H7NS2
Molecular Weight:
181.2779
MDL Number:
MFCD07774732
IUPAC Name:
6-methyl-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C8H7NS2/c1-5-2-3-6-7(4-5)11-8(10)9-6/h2-4H,1H3,(H,9,10)
InChI Key:
KECHYAFVYLLNCH-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)sc(n2)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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