Home Other Building Blocks 1,2,3-Benzenetriol, 4-[[[2-(cyclohexyliMino)-4-

1,2,3-Benzenetriol, 4-[[[2-(cyclohexyliMino)-4-

CAS No.:
509102-00-5
Catalog Number:
AG00DB6R
Molecular Formula:
C17H21N3O3S
Molecular Weight:
347.4319
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
98%
1 week
United States
$182
- +
10mg
≥98%
1 week
United States
$230
- +
Product Description
Catalog Number:
AG00DB6R
Chemical Name:
1,2,3-Benzenetriol, 4-[[[2-(cyclohexyliMino)-4-
CAS Number:
509102-00-5
Molecular Formula:
C17H21N3O3S
Molecular Weight:
347.4319
MDL Number:
MFCD25563256
IUPAC Name:
4-[(E)-(2-cyclohexylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzene-1,2,3-triol
InChI:
InChI=1S/C17H21N3O3S/c1-11-10-24-17(19-13-5-3-2-4-6-13)20(11)18-9-12-7-8-14(21)16(23)15(12)22/h7-10,13,21-23H,2-6H2,1H3/b18-9+,19-17?
InChI Key:
RGGFUBMUOVFZEF-CQPAABLISA-N
SMILES:
Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(c(c1O)O)O
Properties
Complexity:
531  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
347.13g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
347.433g/mol
Monoisotopic Mass:
347.13g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties