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3048-48-4 | Benzothiazole, 4-methyl-
CAS No: 3048-48-4 Catalog No: AG00309O MDL No:MFCD11975739
Product Description
Catalog Number:
AG00309O
Chemical Name:
Benzothiazole, 4-methyl-
CAS Number:
3048-48-4
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
MDL Number:
MFCD11975739
IUPAC Name:
4-methyl-1,3-benzothiazole
InChI:
InChI=1S/C8H7NS/c1-6-3-2-4-7-8(6)9-5-10-7/h2-5H,1H3
InChI Key:
PIUXNZAIHQAHBY-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1ncs2
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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