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80922-08-3 | Benzothiazole, 3-ethyl-2-ethylidene-2,3-dihydro-
CAS No: 80922-08-3 Catalog No: AG0056XG MDL No:
Product Description
Catalog Number:
AG0056XG
Chemical Name:
Benzothiazole, 3-ethyl-2-ethylidene-2,3-dihydro-
CAS Number:
80922-08-3
Molecular Formula:
C11H13NS
Molecular Weight:
191.2926
IUPAC Name:
3-ethyl-2-ethylidene-1,3-benzothiazole
InChI:
InChI=1S/C11H13NS/c1-3-11-12(4-2)9-7-5-6-8-10(9)13-11/h3,5-8H,4H2,1-2H3
InChI Key:
FDHSFJRXFKTMLU-UHFFFAOYSA-N
SMILES:
CC=c1sc2c(n1CC)cccc2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.292g/mol
Monoisotopic Mass:
191.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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