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10205-58-0 | Benzothiazole, 6-methyl-2-phenyl- (6CI,7CI,8CI,9CI)
CAS No: 10205-58-0 Catalog No: AG0094MR MDL No:MFCD00160107
Product Description
Catalog Number:
AG0094MR
Chemical Name:
Benzothiazole, 6-methyl-2-phenyl- (6CI,7CI,8CI,9CI)
CAS Number:
10205-58-0
Molecular Formula:
C14H11NS
Molecular Weight:
225.3088
MDL Number:
MFCD00160107
IUPAC Name:
6-methyl-2-phenyl-1,3-benzothiazole
InChI:
InChI=1S/C14H11NS/c1-10-7-8-12-13(9-10)16-14(15-12)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
NNXGMQKTMUWZBW-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)sc(n2)c1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.309g/mol
Monoisotopic Mass:
225.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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