200,000+ products from a single source!
sales@angenechem.com
94109-77-0 | 5-[5,5-DIMETHYL-3-[(3-METHYL-(3H)-BENZOXAZOL-2-YLIDENE)METHYL]CYCLOHEX-2-EN-1-YLIDENE]-3-ETHYL-2-THIOXOTHIAZOLIDIN-4-ONE
CAS No: 94109-77-0 Catalog No: AG006RFM MDL No:
Product Description
Catalog Number:
AG006RFM
Chemical Name:
5-[5,5-DIMETHYL-3-[(3-METHYL-(3H)-BENZOXAZOL-2-YLIDENE)METHYL]CYCLOHEX-2-EN-1-YLIDENE]-3-ETHYL-2-THIOXOTHIAZOLIDIN-4-ONE
CAS Number:
94109-77-0
Molecular Formula:
C22H24N2O2S2
Molecular Weight:
412.5682
IUPAC Name:
(5E)-5-[5,5-dimethyl-3-[(E)-(3-methyl-1,3-benzoxazol-2-ylidene)methyl]cyclohex-2-en-1-ylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C22H24N2O2S2/c1-5-24-20(25)19(28-21(24)27)15-10-14(12-22(2,3)13-15)11-18-23(4)16-8-6-7-9-17(16)26-18/h6-11H,5,12-13H2,1-4H3/b18-11+,19-15-
InChI Key:
YRWDBTIUBCEIOC-ILUNCUQESA-N
SMILES:
CCN1C(=S)SC(=C2C=C(C=c3oc4c(n3C)cccc4)CC(C2)(C)C)C1=O
EC Number:
302-516-4
Properties
Complexity:
796
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
412.128g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.566g/mol
Monoisotopic Mass:
412.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Related Products
© 2019 Angene International Limited. All rights Reserved.