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35844-59-8 | Benzothiazole, 2-(1,1-dimethylethyl)-2,3-dihydro- (9CI)
CAS No: 35844-59-8 Catalog No: AG00CIAH MDL No:
Product Description
Catalog Number:
AG00CIAH
Chemical Name:
Benzothiazole, 2-(1,1-dimethylethyl)-2,3-dihydro- (9CI)
CAS Number:
35844-59-8
IUPAC Name:
2-tert-butyl-2,3-dihydro-1,3-benzothiazole
InChI:
InChI=1S/C11H15NS/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7,10,12H,1-3H3
InChI Key:
BPLXPXUBPORTAD-UHFFFAOYSA-N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.093g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.308g/mol
Monoisotopic Mass:
193.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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