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853059-17-3 | 4H-1,3-Thiazine, 5,6-bis(2,5-dimethyl-3-thienyl)-2-phenyl-4-(2-thienyl)-
CAS No: 853059-17-3 Catalog No: AG004LP1 MDL No:
Product Description
Catalog Number:
AG004LP1
Chemical Name:
4H-1,3-Thiazine, 5,6-bis(2,5-dimethyl-3-thienyl)-2-phenyl-4-(2-thienyl)-
CAS Number:
853059-17-3
Molecular Formula:
C26H23NS4
Molecular Weight:
477.7275
IUPAC Name:
5,6-bis(2,5-dimethylthiophen-3-yl)-2-phenyl-4-thiophen-2-yl-4H-1,3-thiazine
InChI:
InChI=1S/C26H23NS4/c1-15-13-20(17(3)29-15)23-24(22-11-8-12-28-22)27-26(19-9-6-5-7-10-19)31-25(23)21-14-16(2)30-18(21)4/h5-14,24H,1-4H3
InChI Key:
IXMJWMVCVOYZEL-UHFFFAOYSA-N
SMILES:
Cc1cc(c(s1)C)C1=C(C(N=C(S1)c1ccccc1)c1cccs1)c1cc(sc1C)C
Properties
Complexity:
712
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.071g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.717g/mol
Monoisotopic Mass:
477.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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