200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114627-99-5
114627-99-5 | 4-Pentenimidothioic acid, N-(phenylmethyl)-, methyl ester
CAS No: 114627-99-5 Catalog No: AG000EUX MDL No:
Product Description
Catalog Number:
AG000EUX
Chemical Name:
4-Pentenimidothioic acid, N-(phenylmethyl)-, methyl ester
CAS Number:
114627-99-5
Molecular Formula:
C13H17NS
Molecular Weight:
219.3458
IUPAC Name:
methyl N-benzylpent-4-enimidothioate
InChI:
InChI=1S/C13H17NS/c1-3-4-10-13(15-2)14-11-12-8-6-5-7-9-12/h3,5-9H,1,4,10-11H2,2H3
InChI Key:
DWFWQFPCOYQLJV-UHFFFAOYSA-N
SMILES:
CSC(=NCc1ccccc1)CCC=C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.346g/mol
Monoisotopic Mass:
219.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.