Home Aminos 3-[(1-oxo-1lambda6-thiolan-1-ylidene)amino]benzoic acid

3-[(1-oxo-1lambda6-thiolan-1-ylidene)amino]benzoic acid

CAS No.:
2059947-46-3
Catalog Number:
AG01BQXW
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
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Product Description
Catalog Number:
AG01BQXW
Chemical Name:
3-[(1-oxo-1lambda6-thiolan-1-ylidene)amino]benzoic acid
CAS Number:
2059947-46-3
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
MDL Number:
MFCD30502091
IUPAC Name:
3-[(1-oxothiolan-1-ylidene)amino]benzoic acid
InChI:
InChI=1S/C11H13NO3S/c13-11(14)9-4-3-5-10(8-9)12-16(15)6-1-2-7-16/h3-5,8H,1-2,6-7H2,(H,13,14)
InChI Key:
JOUFTNCORSKTPB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)N=S1(=O)CCCC1
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.289g/mol
Monoisotopic Mass:
239.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties