Home Aminos {amino[(3,4-dihydroxyphenyl)sulfanyl]methylidene}azanium acetate

{amino[(3,4-dihydroxyphenyl)sulfanyl]methylidene}azanium acetate

CAS No.:
27320-20-3
Catalog Number:
AG01C4KC
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01C4KC
Chemical Name:
{amino[(3,4-dihydroxyphenyl)sulfanyl]methylidene}azanium acetate
CAS Number:
27320-20-3
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
MDL Number:
MFCD25970344
IUPAC Name:
acetic acid;(3,4-dihydroxyphenyl) carbamimidothioate
InChI:
InChI=1S/C7H8N2O2S.C2H4O2/c8-7(9)12-4-1-2-5(10)6(11)3-4;1-2(3)4/h1-3,10-11H,(H3,8,9);1H3,(H,3,4)
InChI Key:
UGZALSMVEUUBOR-UHFFFAOYSA-N
SMILES:
NC(=N)Sc1ccc(c(c1)O)O.CC(=O)O
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties