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396653-28-4 | Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl-
CAS No: 396653-28-4 Catalog No: AG00782F MDL No:
Product Description
Catalog Number:
AG00782F
Chemical Name:
Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl-
CAS Number:
396653-28-4
Molecular Formula:
C12H15NS2
Molecular Weight:
237.3842
IUPAC Name:
5-tert-butylsulfanyl-2-methyl-1,3-benzothiazole
InChI:
InChI=1S/C12H15NS2/c1-8-13-10-7-9(15-12(2,3)4)5-6-11(10)14-8/h5-7H,1-4H3
InChI Key:
ALKPCPRKMGCIHY-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)cc(cc2)SC(C)(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.379g/mol
Monoisotopic Mass:
237.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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