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179894-37-2 | Quinoline, 1,2-dihydro-2,2,4-trimethyl-6-(1,2,3-thiadiazol-5-yl)-
CAS No: 179894-37-2 Catalog No: AG0027BU MDL No:
Product Description
Catalog Number:
AG0027BU
Chemical Name:
Quinoline, 1,2-dihydro-2,2,4-trimethyl-6-(1,2,3-thiadiazol-5-yl)-
CAS Number:
179894-37-2
Molecular Formula:
C14H15N3S
Molecular Weight:
257.3540
IUPAC Name:
5-(2,2,4-trimethyl-1H-quinolin-6-yl)thiadiazole
InChI:
InChI=1S/C14H15N3S/c1-9-7-14(2,3)16-12-5-4-10(6-11(9)12)13-8-15-17-18-13/h4-8,16H,1-3H3
InChI Key:
PHDVWFMJIJFPKT-UHFFFAOYSA-N
SMILES:
CC1=CC(C)(C)Nc2c1cc(cc2)c1cnns1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.355g/mol
Monoisotopic Mass:
257.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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