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886495-40-5 | 3-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]aniline
CAS No: 886495-40-5 Catalog No: AG00XDDT MDL No:MFCD06739805
Product Description
Catalog Number:
AG00XDDT
Chemical Name:
3-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]aniline
CAS Number:
886495-40-5
Molecular Formula:
C13H10N2S2
Molecular Weight:
258.3619
MDL Number:
MFCD06739805
IUPAC Name:
3-(4-thiophen-2-yl-1,3-thiazol-2-yl)aniline
InChI:
InChI=1S/C13H10N2S2/c14-10-4-1-3-9(7-10)13-15-11(8-17-13)12-5-2-6-16-12/h1-8H,14H2
InChI Key:
DGNYSZQKPQHEDH-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1scc(n1)c1cccs1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.029g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.357g/mol
Monoisotopic Mass:
258.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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