200,000+ products from a single source!
sales@angenechem.com
5919-29-9 | ETHYL 2-ACETAMIDO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
CAS No: 5919-29-9 Catalog No: AG00ED9M MDL No:MFCD00087275
Product Description
Catalog Number:
AG00ED9M
Chemical Name:
ETHYL 2-ACETAMIDO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
CAS Number:
5919-29-9
Molecular Formula:
C13H17NO3S
Molecular Weight:
267.3440
MDL Number:
MFCD00087275
IUPAC Name:
ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
InChI:
InChI=1S/C13H17NO3S/c1-3-17-13(16)11-9-6-4-5-7-10(9)18-12(11)14-8(2)15/h3-7H2,1-2H3,(H,14,15)
InChI Key:
MYGDFSFTVVUJHF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(NC(=O)C)sc2c1CCCC2
NSC Number:
158556
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.343g/mol
Monoisotopic Mass:
267.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Ethyl 2-benzamido-4,5,6,7-tetra-hydro-1-benzothio-phene-3-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20101001 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.