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Home Other Building Blocks 2-(morpholin-4-ylmethyl)quinazoline-4-thiol

2-(morpholin-4-ylmethyl)quinazoline-4-thiol

CAS No.:
923711-94-8
Catalog Number:
AG019K2X
Molecular Formula:
C13H15N3OS
Molecular Weight:
261.3427
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Product Description
Catalog Number:
AG019K2X
Chemical Name:
2-(morpholin-4-ylmethyl)quinazoline-4-thiol
CAS Number:
923711-94-8
Molecular Formula:
C13H15N3OS
Molecular Weight:
261.3427
MDL Number:
MFCD08444331
IUPAC Name:
2-(morpholin-4-ylmethyl)-1H-quinazoline-4-thione
InChI:
InChI=1S/C13H15N3OS/c18-13-10-3-1-2-4-11(10)14-12(15-13)9-16-5-7-17-8-6-16/h1-4H,5-9H2,(H,14,15,18)
InChI Key:
QBYSPXSPXRIZCC-UHFFFAOYSA-N
SMILES:
Sc1nc(CN2CCOCC2)nc2c1cccc2
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.094g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.343g/mol
Monoisotopic Mass:
261.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties