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Home > Other Heterocycles > 892299-03-5
892299-03-5 | 1'H-spiro[cycloheptane-1,2'-quinazoline]-4'-thiol
CAS No: 892299-03-5 Catalog No: AG00IFLU MDL No:MFCD28023513
Product Description
Catalog Number:
AG00IFLU
Chemical Name:
1'H-spiro[cycloheptane-1,2'-quinazoline]-4'-thiol
CAS Number:
892299-03-5
Molecular Formula:
C14H18N2S
Molecular Weight:
246.3711
MDL Number:
MFCD28023513
IUPAC Name:
spiro[1,3-dihydroquinazoline-2,1'-cycloheptane]-4-thione
InChI:
InChI=1S/C14H18N2S/c17-13-11-7-3-4-8-12(11)15-14(16-13)9-5-1-2-6-10-14/h3-4,7-8,15H,1-2,5-6,9-10H2,(H,16,17)
InChI Key:
UWQPLNLJLOVGIV-UHFFFAOYSA-N
SMILES:
SC1=NC2(CCCCCC2)Nc2c1cccc2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.119g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.372g/mol
Monoisotopic Mass:
246.119g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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