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124959-56-4 | Ethanol, 2-[(4,6-di-2-thienyl-2-pyrimidinyl)amino]-
CAS No: 124959-56-4 Catalog No: AG000MX3 MDL No:
Product Description
Catalog Number:
AG000MX3
Chemical Name:
Ethanol, 2-[(4,6-di-2-thienyl-2-pyrimidinyl)amino]-
CAS Number:
124959-56-4
Molecular Formula:
C14H13N3OS2
Molecular Weight:
303.4025
IUPAC Name:
2-[(4,6-dithiophen-2-ylpyrimidin-2-yl)amino]ethanol
InChI:
InChI=1S/C14H13N3OS2/c18-6-5-15-14-16-10(12-3-1-7-19-12)9-11(17-14)13-4-2-8-20-13/h1-4,7-9,18H,5-6H2,(H,15,16,17)
InChI Key:
OGTKCQGXQZYQFO-UHFFFAOYSA-N
SMILES:
OCCNc1nc(cc(n1)c1cccs1)c1cccs1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.05g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.398g/mol
Monoisotopic Mass:
303.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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