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920159-05-3 | "1-(3-hydroxypropyl)-4-sulfanylidene-1,2,3,4,5,6,7,8-octahydroquinazolin-2-one"
CAS No: 920159-05-3 Catalog No: AG01FM7Y MDL No:MFCD08360193
Product Description
Catalog Number:
AG01FM7Y
Chemical Name:
"1-(3-hydroxypropyl)-4-sulfanylidene-1,2,3,4,5,6,7,8-octahydroquinazolin-2-one"
CAS Number:
920159-05-3
Molecular Formula:
C11H16N2O2S
Molecular Weight:
240.3219
MDL Number:
MFCD08360193
IUPAC Name:
1-(3-hydroxypropyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one
InChI:
InChI=1S/C11H16N2O2S/c14-7-3-6-13-9-5-2-1-4-8(9)10(16)12-11(13)15/h14H,1-7H2,(H,12,15,16)
InChI Key:
KGNQNEBPINXKFP-UHFFFAOYSA-N
SMILES:
OCCCn1c(=O)[nH]c(=S)c2c1CCCC2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.093g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.321g/mol
Monoisotopic Mass:
240.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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