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2137543-10-1 | 4-{4H,5H,6H,7H-thieno[2,3-c]pyridin-7-yl}-1,3-thiazole
CAS No: 2137543-10-1 Catalog No: AG01EHZW MDL No:
Product Description
Catalog Number:
AG01EHZW
Chemical Name:
4-{4H,5H,6H,7H-thieno[2,3-c]pyridin-7-yl}-1,3-thiazole
CAS Number:
2137543-10-1
Molecular Formula:
C10H10N2S2
Molecular Weight:
222.3298
IUPAC Name:
7-(1,3-thiazol-4-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
InChI:
InChI=1S/C10H10N2S2/c1-3-11-9(8-5-13-6-12-8)10-7(1)2-4-14-10/h2,4-6,9,11H,1,3H2
InChI Key:
IISXSFKNEVONOB-UHFFFAOYSA-N
SMILES:
c1scc(n1)C1NCCc2c1scc2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.324g/mol
Monoisotopic Mass:
222.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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