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116959-14-9 | Isothiazole, dihydro-
CAS No: 116959-14-9 Catalog No: AG000DEZ MDL No:
Product Description
Catalog Number:
AG000DEZ
Chemical Name:
Isothiazole, dihydro-
CAS Number:
116959-14-9
Molecular Formula:
C3H5NS
Molecular Weight:
87.1435
IUPAC Name:
2,3-dihydro-1,2-thiazole
InChI:
InChI=1S/C3H5NS/c1-2-4-5-3-1/h1,3-4H,2H2
InChI Key:
YTQQIHUQLOZOJI-UHFFFAOYSA-N
SMILES:
C1NSC=C1
Properties
Complexity:
50.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
87.014g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
87.14g/mol
Monoisotopic Mass:
87.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Triazole-containing isothiazolidine 1,1-dioxide library synthesis: one-pot, multi-component protocols for small molecular probe discovery. | ACS combinatorial science 20110912 |
| Synthesis and anti-HIV1 biological activity of novel 5''-ATSAO compounds. | Bioorganic & medicinal chemistry 20080415 |
| Structure activity studies of the serine-AIB dipeptide domain in 2,3-dihydroisothiazole based growth hormone secretagogues. | Bioorganic & medicinal chemistry 20051215 |
| First synthesis and evaluation of the inhibitory effects of aza analogues of TSAO on HIV-1 replication. | Journal of medicinal chemistry 20050630 |
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