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Home > Pyridines > 1105194-85-1
1105194-85-1 | 3-(1,3-BENZOTHIAZOL-2-YL)-6-ETHYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-+
CAS No: 1105194-85-1 Catalog No: AG01ARWC MDL No:MFCD11986972
Product Description
Catalog Number:
AG01ARWC
Chemical Name:
3-(1,3-BENZOTHIAZOL-2-YL)-6-ETHYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-+
CAS Number:
1105194-85-1
Molecular Formula:
C16H17N3S2
Molecular Weight:
315.4563
MDL Number:
MFCD11986972
IUPAC Name:
3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
InChI:
InChI=1S/C16H17N3S2/c1-2-19-8-7-10-13(9-19)20-15(17)14(10)16-18-11-5-3-4-6-12(11)21-16/h3-6H,2,7-9,17H2,1H3
InChI Key:
FYEUOFXRTURCMC-UHFFFAOYSA-N
SMILES:
CCN1CCc2c(C1)sc(c2c1nc2c(s1)cccc2)N
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.453g/mol
Monoisotopic Mass:
315.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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