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20712-09-8 | 2,1-Benzisothiazole, 3-methyl-
CAS No: 20712-09-8 Catalog No: AG002IUA MDL No:
Product Description
Catalog Number:
AG002IUA
Chemical Name:
2,1-Benzisothiazole, 3-methyl-
CAS Number:
20712-09-8
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
IUPAC Name:
3-methyl-2,1-benzothiazole
InChI:
InChI=1S/C8H7NS/c1-6-7-4-2-3-5-8(7)9-10-6/h2-5H,1H3
InChI Key:
YJRLOOVPHLBHIZ-UHFFFAOYSA-N
SMILES:
Cc1snc2c1cccc2
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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