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Home > Other Heterocycles > 126492-23-7
126492-23-7 | 1'H-spiro[cyclohexane-1,2'-quinazoline]-4'-thiol
CAS No: 126492-23-7 Catalog No: AG00HRIA MDL No:MFCD28023515
Product Description
Catalog Number:
AG00HRIA
Chemical Name:
1'H-spiro[cyclohexane-1,2'-quinazoline]-4'-thiol
CAS Number:
126492-23-7
Molecular Formula:
C13H16N2S
Molecular Weight:
232.3445
MDL Number:
MFCD28023515
IUPAC Name:
spiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-thione
InChI:
InChI=1S/C13H16N2S/c16-12-10-6-2-3-7-11(10)14-13(15-12)8-4-1-5-9-13/h2-3,6-7,14H,1,4-5,8-9H2,(H,15,16)
InChI Key:
OAQXDLBZPHDYGX-UHFFFAOYSA-N
SMILES:
SC1=NC2(CCCCC2)Nc2c1cccc2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.345g/mol
Monoisotopic Mass:
232.103g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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