Home Aminos 3-(carbamothioylamino)-5-hydroxybenzoic acid

3-(carbamothioylamino)-5-hydroxybenzoic acid

CAS No.:
240431-47-4
Catalog Number:
AG01DJSM
Molecular Formula:
C8H8N2O3S
Molecular Weight:
212.2257
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Product Description
Catalog Number:
AG01DJSM
Chemical Name:
3-(carbamothioylamino)-5-hydroxybenzoic acid
CAS Number:
240431-47-4
Molecular Formula:
C8H8N2O3S
Molecular Weight:
212.2257
MDL Number:
MFCD24483788
IUPAC Name:
3-(carbamothioylamino)-5-hydroxybenzoic acid
InChI:
InChI=1S/C8H8N2O3S/c9-8(14)10-5-1-4(7(12)13)2-6(11)3-5/h1-3,11H,(H,12,13)(H3,9,10,14)
InChI Key:
JPLZEZBRDSVSST-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cc(O)cc(c1)C(=O)O
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.026g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
212.223g/mol
Monoisotopic Mass:
212.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties