Home Other Building Blocks 4-(4-Carboxyphenyl)-3-thiosemicarbazide

4-(4-Carboxyphenyl)-3-thiosemicarbazide

CAS No.:
206559-48-0
Catalog Number:
AG002IK8
Molecular Formula:
C8H9N3O2S
Molecular Weight:
211.2410
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$69
- +
Product Description
Catalog Number:
AG002IK8
Chemical Name:
4-(4-Carboxyphenyl)-3-thiosemicarbazide
CAS Number:
206559-48-0
Molecular Formula:
C8H9N3O2S
Molecular Weight:
211.2410
MDL Number:
MFCD00060584
IUPAC Name:
4-(aminocarbamothioylamino)benzoic acid
InChI:
InChI=1S/C8H9N3O2S/c9-11-8(14)10-6-3-1-5(2-4-6)7(12)13/h1-4H,9H2,(H,12,13)(H2,10,11,14)
InChI Key:
DKMVMRDKDAUDOS-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.042g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
211.239g/mol
Monoisotopic Mass:
211.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2  
Properties