Home Other Building Blocks 3-(1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione

3-(1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione

CAS No.:
1153039-20-3
Catalog Number:
AG01BGGW
Molecular Formula:
C7H10N2O2S
Molecular Weight:
186.2315
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Product Description
Catalog Number:
AG01BGGW
Chemical Name:
3-(1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione
CAS Number:
1153039-20-3
Molecular Formula:
C7H10N2O2S
Molecular Weight:
186.2315
MDL Number:
MFCD12192630
IUPAC Name:
3-pyrazol-1-ylthiolane 1,1-dioxide
InChI:
InChI=1S/C7H10N2O2S/c10-12(11)5-2-7(6-12)9-4-1-3-8-9/h1,3-4,7H,2,5-6H2
InChI Key:
PFIFVPYNENWRNN-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCC(C1)n1cccn1
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.046g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.229g/mol
Monoisotopic Mass:
186.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties