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127570-96-1 | [1,2,4]Triazolo[4,3-a]quinazolin-5(1H)-one, 2,4-dihydro-4-methyl-1-thioxo-
CAS No: 127570-96-1 Catalog No: AG000X5V MDL No:MFCD08271782
Product Description
Catalog Number:
AG000X5V
Chemical Name:
[1,2,4]Triazolo[4,3-a]quinazolin-5(1H)-one, 2,4-dihydro-4-methyl-1-thioxo-
CAS Number:
127570-96-1
Molecular Formula:
C10H8N4OS
Molecular Weight:
232.2617
MDL Number:
MFCD08271782
IUPAC Name:
4-methyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
InChI:
InChI=1S/C10H8N4OS/c1-13-8(15)6-4-2-3-5-7(6)14-9(13)11-12-10(14)16/h2-5H,1H3,(H,12,16)
InChI Key:
AWMQHQDTPFMYHT-UHFFFAOYSA-N
SMILES:
Cn1c(=O)c2ccccc2n2c1n[nH]c2=S
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.261g/mol
Monoisotopic Mass:
232.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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