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1529378-53-7 | 3-(3-iodo-4-methyl-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione
CAS No: 1529378-53-7 Catalog No: AG01BFTY MDL No:MFCD23769073
Product Description
Catalog Number:
AG01BFTY
Chemical Name:
3-(3-iodo-4-methyl-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione
CAS Number:
1529378-53-7
Molecular Formula:
C8H11IN2O2S
Molecular Weight:
326.1546
MDL Number:
MFCD23769073
IUPAC Name:
3-(3-iodo-4-methylpyrazol-1-yl)thiolane 1,1-dioxide
InChI:
InChI=1S/C8H11IN2O2S/c1-6-4-11(10-8(6)9)7-2-3-14(12,13)5-7/h4,7H,2-3,5H2,1H3
InChI Key:
WWQXKACQZHFKMR-UHFFFAOYSA-N
SMILES:
Cc1cn(nc1I)C1CCS(=O)(=O)C1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.959g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.152g/mol
Monoisotopic Mass:
325.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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