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1536708-25-4 | 3-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione
CAS No: 1536708-25-4 Catalog No: AG01BG84 MDL No:MFCD22731852
Product Description
Catalog Number:
AG01BG84
Chemical Name:
3-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione
CAS Number:
1536708-25-4
Molecular Formula:
C9H13IN2O2S
Molecular Weight:
340.1812
MDL Number:
MFCD22731852
IUPAC Name:
3-(4-iodo-3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide
InChI:
InChI=1S/C9H13IN2O2S/c1-6-9(10)7(2)12(11-6)8-3-4-15(13,14)5-8/h8H,3-5H2,1-2H3
InChI Key:
HOMAQDWMORHNOB-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1I)C)C1CCS(=O)(=O)C1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.179g/mol
Monoisotopic Mass:
339.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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