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56910-95-3 | 5-Methylbenzo[c]isothiazole
CAS No: 56910-95-3 Catalog No: AG00ELUS MDL No:
Product Description
Catalog Number:
AG00ELUS
Chemical Name:
5-Methylbenzo[c]isothiazole
CAS Number:
56910-95-3
IUPAC Name:
5-methyl-2,1-benzothiazole
InChI:
InChI=1S/C8H7NS/c1-6-2-3-8-7(4-6)5-10-9-8/h2-5H,1H3
InChI Key:
WCRXWDPKZJQPTB-UHFFFAOYSA-N
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.211g/mol
Monoisotopic Mass:
149.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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