Home Halogens 2-(chloromethyl)-6-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

2-(chloromethyl)-6-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

CAS No.:
852218-16-7
Catalog Number:
AG00IDL5
Molecular Formula:
C13H9ClN2OS
Molecular Weight:
276.7414
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Product Description
Catalog Number:
AG00IDL5
Chemical Name:
2-(chloromethyl)-6-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CAS Number:
852218-16-7
Molecular Formula:
C13H9ClN2OS
Molecular Weight:
276.7414
MDL Number:
MFCD01850756
IUPAC Name:
2-(chloromethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C13H9ClN2OS/c14-7-11-15-12(17)9-6-10(18-13(9)16-11)8-4-2-1-3-5-8/h1-6H,7H2,(H,15,16,17)
InChI Key:
XIZLGTMVTXLUGC-UHFFFAOYSA-N
SMILES:
ClCc1nc2sc(cc2c(=O)[nH]1)c1ccccc1
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.012g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.738g/mol
Monoisotopic Mass:
276.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties