Home Sulfos 3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)thiophene-2-carboxylic acid

3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)thiophene-2-carboxylic acid

CAS No.:
924116-79-0
Catalog Number:
AG019K6F
Molecular Formula:
C14H13NO4S2
Molecular Weight:
323.3873
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Product Description
Catalog Number:
AG019K6F
Chemical Name:
3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)thiophene-2-carboxylic acid
CAS Number:
924116-79-0
Molecular Formula:
C14H13NO4S2
Molecular Weight:
323.3873
MDL Number:
MFCD08444478
IUPAC Name:
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C14H13NO4S2/c16-14(17)13-12(6-8-20-13)21(18,19)15-7-5-10-3-1-2-4-11(10)9-15/h1-4,6,8H,5,7,9H2,(H,16,17)
InChI Key:
DTKJYYPJXFMPGE-UHFFFAOYSA-N
SMILES:
OC(=O)c1sccc1S(=O)(=O)N1CCc2c(C1)cccc2
Properties
Complexity:
502  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.029g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
323.381g/mol
Monoisotopic Mass:
323.029g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties