Home Sulfos 3-methyl-5-(piperazine-1-sulfonyl)thiophene-2,4-dicarboxylic acid hydrochloride

3-methyl-5-(piperazine-1-sulfonyl)thiophene-2,4-dicarboxylic acid hydrochloride

CAS No.:
1052545-08-0
Catalog Number:
AG019JUI
Molecular Formula:
C11H15ClN2O6S2
Molecular Weight:
370.8296
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Product Description
Catalog Number:
AG019JUI
Chemical Name:
3-methyl-5-(piperazine-1-sulfonyl)thiophene-2,4-dicarboxylic acid hydrochloride
CAS Number:
1052545-08-0
Molecular Formula:
C11H15ClN2O6S2
Molecular Weight:
370.8296
MDL Number:
MFCD07308297
IUPAC Name:
3-methyl-5-piperazin-1-ylsulfonylthiophene-2,4-dicarboxylic acid;hydrochloride
InChI:
InChI=1S/C11H14N2O6S2.ClH/c1-6-7(9(14)15)11(20-8(6)10(16)17)21(18,19)13-4-2-12-3-5-13;/h12H,2-5H2,1H3,(H,14,15)(H,16,17);1H
InChI Key:
ZIMIKHSOWMISKD-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)c(sc1S(=O)(=O)N1CCNCC1)C(=O)O.Cl
Properties
Complexity:
525  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.006g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
370.819g/mol
Monoisotopic Mass:
370.006g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties