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58175-08-9 | Benzothiazole, 2-[(2-methylpropyl)thio]- (9CI)
CAS No: 58175-08-9 Catalog No: AG00EOC1 MDL No:
Product Description
Catalog Number:
AG00EOC1
Chemical Name:
Benzothiazole, 2-[(2-methylpropyl)thio]- (9CI)
CAS Number:
58175-08-9
IUPAC Name:
2-(2-methylpropylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C11H13NS2/c1-8(2)7-13-11-12-9-5-3-4-6-10(9)14-11/h3-6,8H,7H2,1-2H3
InChI Key:
GCFXMHPBVFMXLK-UHFFFAOYSA-N
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.352g/mol
Monoisotopic Mass:
223.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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