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Home > Other Heterocycles > 346458-41-1
346458-41-1 | 1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol
CAS No: 346458-41-1 Catalog No: AG00I6UC MDL No:MFCD28023514
Product Description
Catalog Number:
AG00I6UC
Chemical Name:
1'H-spiro[cyclopentane-1,2'-quinazoline]-4'-thiol
CAS Number:
346458-41-1
Molecular Formula:
C12H14N2S
Molecular Weight:
218.3180
MDL Number:
MFCD28023514
IUPAC Name:
spiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-4-thione
InChI:
InChI=1S/C12H14N2S/c15-11-9-5-1-2-6-10(9)13-12(14-11)7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2,(H,14,15)
InChI Key:
CVKBGNGVPMPNQU-UHFFFAOYSA-N
SMILES:
SC1=NC2(CCCC2)Nc2c1cccc2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.318g/mol
Monoisotopic Mass:
218.088g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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