200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 148720-11-0
148720-11-0 | 4-(2-sulfanyl-4,5-dihydro-1H-imidazol-1-yl)benzoic acid
CAS No: 148720-11-0 Catalog No: AG00IOCN MDL No:MFCD00664192
Product Description
Catalog Number:
AG00IOCN
Chemical Name:
4-(2-sulfanyl-4,5-dihydro-1H-imidazol-1-yl)benzoic acid
CAS Number:
148720-11-0
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
MDL Number:
MFCD00664192
IUPAC Name:
4-(2-sulfanylideneimidazolidin-1-yl)benzoic acid
InChI:
InChI=1S/C10H10N2O2S/c13-9(14)7-1-3-8(4-2-7)12-6-5-11-10(12)15/h1-4H,5-6H2,(H,11,15)(H,13,14)
InChI Key:
KGCOQHIOPCCJDZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N1CCN=C1S
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.