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138400-06-3 | 2,4(1H,3H)-Quinazolinedione, 3-(2-mercaptoethyl)-
CAS No: 138400-06-3 Catalog No: AG0018QC MDL No:
Product Description
Catalog Number:
AG0018QC
Chemical Name:
2,4(1H,3H)-Quinazolinedione, 3-(2-mercaptoethyl)-
CAS Number:
138400-06-3
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
IUPAC Name:
3-(2-sulfanylethyl)-1H-quinazoline-2,4-dione
InChI:
InChI=1S/C10H10N2O2S/c13-9-7-3-1-2-4-8(7)11-10(14)12(9)5-6-15/h1-4,15H,5-6H2,(H,11,14)
InChI Key:
GRNHLFULJDXJKR-UHFFFAOYSA-N
SMILES:
SCCn1c(=O)[nH]c2c(c1=O)cccc2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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