Home Carboxys 2-(phenylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid

2-(phenylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid

CAS No.:
40440-19-5
Catalog Number:
AG01ANF0
Molecular Formula:
C14H14N2O2S
Molecular Weight:
274.3382
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Product Description
Catalog Number:
AG01ANF0
Chemical Name:
2-(phenylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
CAS Number:
40440-19-5
Molecular Formula:
C14H14N2O2S
Molecular Weight:
274.3382
MDL Number:
MFCD26376004
IUPAC Name:
2-anilino-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
InChI:
InChI=1S/C14H14N2O2S/c17-13(18)10-7-4-8-11-12(10)16-14(19-11)15-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,15,16)(H,17,18)
InChI Key:
JOIXUFPFQRPNLX-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCc2c1nc(s2)Nc1ccccc1
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.078g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
274.338g/mol
Monoisotopic Mass:
274.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties