Home Other Building Blocks 3-(1-methyl-1H-pyrazol-4-yl)-1lambda6-thiomorpholine-1,1-dione dihydrochloride

3-(1-methyl-1H-pyrazol-4-yl)-1lambda6-thiomorpholine-1,1-dione dihydrochloride

CAS No.:
1788530-14-2
Catalog Number:
AG01BD8U
Molecular Formula:
C8H15Cl2N3O2S
Molecular Weight:
288.1946
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Product Description
Catalog Number:
AG01BD8U
Chemical Name:
3-(1-methyl-1H-pyrazol-4-yl)-1lambda6-thiomorpholine-1,1-dione dihydrochloride
CAS Number:
1788530-14-2
Molecular Formula:
C8H15Cl2N3O2S
Molecular Weight:
288.1946
MDL Number:
MFCD28012435
IUPAC Name:
3-(1-methylpyrazol-4-yl)-1,4-thiazinane 1,1-dioxide;dihydrochloride
InChI:
InChI=1S/C8H13N3O2S.2ClH/c1-11-5-7(4-10-11)8-6-14(12,13)3-2-9-8;;/h4-5,8-9H,2-3,6H2,1H3;2*1H
InChI Key:
OFXMGCMFQCNBNX-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)C1NCCS(=O)(=O)C1.Cl.Cl
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.026g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
288.187g/mol
Monoisotopic Mass:
287.026g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties