200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1086375-83-8
1086375-83-8 | Methyl 1-Phenyl-5-thioxopyrrolidine-3-carboxylate
CAS No: 1086375-83-8 Catalog No: AG01F95Z MDL No:
Product Description
Catalog Number:
AG01F95Z
Chemical Name:
Methyl 1-Phenyl-5-thioxopyrrolidine-3-carboxylate
CAS Number:
1086375-83-8
Molecular Formula:
C12H13NO2S
Molecular Weight:
235.3021
IUPAC Name:
methyl 1-phenyl-5-sulfanylidenepyrrolidine-3-carboxylate
InChI:
InChI=1S/C12H13NO2S/c1-15-12(14)9-7-11(16)13(8-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChI Key:
UUSBHARQPISLSU-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(C(=S)C1)c1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.301g/mol
Monoisotopic Mass:
235.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
© 2019 Angene International Limited. All rights Reserved.