Home Other Building Blocks 1-(3-Carboxyphenyl)-2-thiourea

1-(3-Carboxyphenyl)-2-thiourea

CAS No.:
37182-75-5
Catalog Number:
AG003CWM
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$132
- +
Product Description
Catalog Number:
AG003CWM
Chemical Name:
1-(3-Carboxyphenyl)-2-thiourea
CAS Number:
37182-75-5
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD00060450
IUPAC Name:
3-(carbamothioylamino)benzoic acid
InChI:
InChI=1S/C8H8N2O2S/c9-8(13)10-6-3-1-2-5(4-6)7(11)12/h1-4H,(H,11,12)(H3,9,10,13)
InChI Key:
JRQJYVACDJEUDZ-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cccc(c1)C(=O)O
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design. Journal of medicinal chemistry 19971205
Properties