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Home > Imidazoles > 663203-91-6
663203-91-6 | (5E)-3-ISOBUTYL-2-MERCAPTO-5-(THIEN-2-YLMETHYLENE)-3,5-DIHYDRO-4H-IMIDAZO+
CAS No: 663203-91-6 Catalog No: AG01ANRP MDL No:
Product Description
Catalog Number:
AG01ANRP
Chemical Name:
(5E)-3-ISOBUTYL-2-MERCAPTO-5-(THIEN-2-YLMETHYLENE)-3,5-DIHYDRO-4H-IMIDAZO+
CAS Number:
663203-91-6
Molecular Formula:
C12H14N2OS2
Molecular Weight:
266.3824
IUPAC Name:
3-(2-methylpropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
InChI:
InChI=1S/C12H14N2OS2/c1-8(2)7-14-11(15)10(13-12(14)16)6-9-4-3-5-17-9/h3-6,8H,7H2,1-2H3,(H,13,16)
InChI Key:
LNNGNZRVIUXLFO-UHFFFAOYSA-N
SMILES:
CC(CN1C(=NC(=Cc2cccs2)C1=O)S)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.377g/mol
Monoisotopic Mass:
266.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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