200,000+ products from a single source!
sales@angenechem.com
866149-77-1 | (5E)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-{[4-(methylsulfanyl)phenyl]methylidene}-4,5-dihydro-1,3-thiazol-4-one
CAS No: 866149-77-1 Catalog No: AG00IW5O MDL No:MFCD05974972
Product Description
Catalog Number:
AG00IW5O
Chemical Name:
(5E)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-{[4-(methylsulfanyl)phenyl]methylidene}-4,5-dihydro-1,3-thiazol-4-one
CAS Number:
866149-77-1
Molecular Formula:
C18H22N2O2S2
Molecular Weight:
362.5095
MDL Number:
MFCD05974972
IUPAC Name:
2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazol-4-one
InChI:
InChI=1S/C18H22N2O2S2/c1-23-15-7-5-13(6-8-15)12-16-17(22)19-18(24-16)20-10-3-2-4-14(20)9-11-21/h5-8,12,14,21H,2-4,9-11H2,1H3
InChI Key:
NIYYTBAGZGYGKP-UHFFFAOYSA-N
SMILES:
OCCC1CCCCN1C1=NC(=O)/C(=C\c2ccc(cc2)SC)/S1
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.112g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.506g/mol
Monoisotopic Mass:
362.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.