200,000+ products from a single source!
sales@angenechem.com
132471-38-6 | 3-Thiazolidinepentanenitrile, α-(2-methylpropyl)-δ-oxo-α-phenyl-2-thioxo-
CAS No: 132471-38-6 Catalog No: AG0010Q2 MDL No:
Product Description
Catalog Number:
AG0010Q2
Chemical Name:
3-Thiazolidinepentanenitrile, α-(2-methylpropyl)-δ-oxo-α-phenyl-2-thioxo-
CAS Number:
132471-38-6
Molecular Formula:
C18H22N2OS2
Molecular Weight:
346.5101
IUPAC Name:
2-(2-methylpropyl)-5-oxo-2-phenyl-5-(2-sulfanylidene-1,3-thiazolidin-3-yl)pentanenitrile
InChI:
InChI=1S/C18H22N2OS2/c1-14(2)12-18(13-19,15-6-4-3-5-7-15)9-8-16(21)20-10-11-23-17(20)22/h3-7,14H,8-12H2,1-2H3
InChI Key:
BNJBOHHOEFVGEG-UHFFFAOYSA-N
SMILES:
CC(CC(c1ccccc1)(C#N)CCC(=O)N1CCSC1=S)C
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.507g/mol
Monoisotopic Mass:
346.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.