200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 178978-99-9
178978-99-9 | 1H-Imidazole-2-carboxaldehyde, 5-[(3,5-dimethylphenyl)thio]-1-methyl-4-(1-methylethyl)-, oxime
CAS No: 178978-99-9 Catalog No: AG0026J5 MDL No:
Product Description
Catalog Number:
AG0026J5
Chemical Name:
1H-Imidazole-2-carboxaldehyde, 5-[(3,5-dimethylphenyl)thio]-1-methyl-4-(1-methylethyl)-, oxime
CAS Number:
178978-99-9
Molecular Formula:
C16H21N3OS
Molecular Weight:
303.4224
IUPAC Name:
(NE)-N-[[5-(3,5-dimethylphenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylidene]hydroxylamine
InChI:
InChI=1S/C16H21N3OS/c1-10(2)15-16(19(5)14(18-15)9-17-20)21-13-7-11(3)6-12(4)8-13/h6-10,20H,1-5H3/b17-9+
InChI Key:
KZULMYJCTXRKKY-RQZCQDPDSA-N
SMILES:
ON=Cc1nc(c(n1C)Sc1cc(C)cc(c1)C)C(C)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
303.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.424g/mol
Monoisotopic Mass:
303.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.