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36777-92-1 | Benzothiazole, 2-ethyl-2,3-dihydro-2-methyl- (9CI)
CAS No: 36777-92-1 Catalog No: AG00CPIS MDL No:
Product Description
Catalog Number:
AG00CPIS
Chemical Name:
Benzothiazole, 2-ethyl-2,3-dihydro-2-methyl- (9CI)
CAS Number:
36777-92-1
IUPAC Name:
2-ethyl-2-methyl-3H-1,3-benzothiazole
InChI:
InChI=1S/C10H13NS/c1-3-10(2)11-8-6-4-5-7-9(8)12-10/h4-7,11H,3H2,1-2H3
InChI Key:
IOZMHSSVDBDSJR-UHFFFAOYSA-N
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.281g/mol
Monoisotopic Mass:
179.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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