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100527-50-2 | 4(3H)-Quinazolinethione, 2-(4-bromophenyl)-
CAS No: 100527-50-2 Catalog No: AG00028Z MDL No:MFCD06336121
Product Description
Catalog Number:
AG00028Z
Chemical Name:
4(3H)-Quinazolinethione, 2-(4-bromophenyl)-
CAS Number:
100527-50-2
Molecular Formula:
C14H9BrN2S
Molecular Weight:
317.2037
MDL Number:
MFCD06336121
IUPAC Name:
2-(4-bromophenyl)-1H-quinazoline-4-thione
InChI:
InChI=1S/C14H9BrN2S/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
InChI Key:
MKWVNTQJXOEFFY-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc2ccccc2c(=S)[nH]1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.967g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.204g/mol
Monoisotopic Mass:
315.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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