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91019-90-8 | 2-Propanone, 1-(3-butyl-2(3H)-benzothiazolylidene)-
CAS No: 91019-90-8 Catalog No: AG006RVB MDL No:
Product Description
Catalog Number:
AG006RVB
Chemical Name:
2-Propanone, 1-(3-butyl-2(3H)-benzothiazolylidene)-
CAS Number:
91019-90-8
Molecular Formula:
C14H17NOS
Molecular Weight:
247.3559
IUPAC Name:
1-(3-butyl-1,3-benzothiazol-2-ylidene)propan-2-one
InChI:
InChI=1S/C14H17NOS/c1-3-4-9-15-12-7-5-6-8-13(12)17-14(15)10-11(2)16/h5-8,10H,3-4,9H2,1-2H3
InChI Key:
OUNHKVCJCCNJTQ-UHFFFAOYSA-N
SMILES:
CCCCn1c(=CC(=O)C)sc2c1cccc2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.356g/mol
Monoisotopic Mass:
247.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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