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718615-92-0

718615-92-0 | Thieno[2,3-d]pyrimidine, 4-iodo-6-phenyl-

CAS No: 718615-92-0 Catalog No: AG00IMND MDL No:MFCD28040989

Product Description

Catalog Number:
AG00IMND
Chemical Name:
Thieno[2,3-d]pyrimidine, 4-iodo-6-phenyl-
CAS Number:
718615-92-0
Molecular Formula:
C12H7IN2S
Molecular Weight:
338.1668
MDL Number:
MFCD28040989
IUPAC Name:
4-iodo-6-phenylthieno[2,3-d]pyrimidine
InChI:
InChI=1S/C12H7IN2S/c13-11-9-6-10(8-4-2-1-3-5-8)16-12(9)15-7-14-11/h1-7H
InChI Key:
KFSCOHGEHTZQLL-UHFFFAOYSA-N
SMILES:
Ic1ncnc2c1cc(s2)c1ccccc1

Properties

Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.937g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.166g/mol
Monoisotopic Mass:
337.937g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Literature

Title Journal
4-metalated condensed pyrimidines: their preparation and reaction with aldehydes under Barbier-type conditions. Organic letters 20040610

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