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544461-20-3 | 6-bromoquinazoline-4-thiol
CAS No: 544461-20-3 Catalog No: AG01EIT8 MDL No:MFCD09042588
Product Description
Catalog Number:
AG01EIT8
Chemical Name:
6-bromoquinazoline-4-thiol
CAS Number:
544461-20-3
Molecular Formula:
C8H5BrN2S
Molecular Weight:
241.1077
MDL Number:
MFCD09042588
IUPAC Name:
6-bromo-1H-quinazoline-4-thione
InChI:
InChI=1S/C8H5BrN2S/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)
InChI Key:
POBLUMIPMANYST-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(S)ncn2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.936g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.106g/mol
Monoisotopic Mass:
239.936g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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