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1788823-11-9 | 3-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione hydrochloride
CAS No: 1788823-11-9 Catalog No: AG01BG8Q MDL No:MFCD28125053
Product Description
Catalog Number:
AG01BG8Q
Chemical Name:
3-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione hydrochloride
CAS Number:
1788823-11-9
Molecular Formula:
C9H14ClIN2O2S
Molecular Weight:
376.6421
MDL Number:
MFCD28125053
IUPAC Name:
3-(4-iodo-3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide;hydrochloride
InChI:
InChI=1S/C9H13IN2O2S.ClH/c1-6-9(10)7(2)12(11-6)8-3-4-15(13,14)5-8;/h8H,3-5H2,1-2H3;1H
InChI Key:
SQIRAROKVOXYRW-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1I)C)C1CCS(=O)(=O)C1.Cl
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.951g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.637g/mol
Monoisotopic Mass:
375.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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