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188940-38-7 | Acetamide, N-3-buten-1-yl-N-(3-mercapto-1-isobenzofuranyl)-
CAS No: 188940-38-7 Catalog No: AG002HKI MDL No:
Product Description
Catalog Number:
AG002HKI
Chemical Name:
Acetamide, N-3-buten-1-yl-N-(3-mercapto-1-isobenzofuranyl)-
CAS Number:
188940-38-7
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
IUPAC Name:
N-but-3-enyl-N-(3-sulfanyl-2-benzofuran-1-yl)acetamide
InChI:
InChI=1S/C14H15NO2S/c1-3-4-9-15(10(2)16)13-11-7-5-6-8-12(11)14(18)17-13/h3,5-8,18H,1,4,9H2,2H3
InChI Key:
GLUDKKOKFFOFJU-UHFFFAOYSA-N
SMILES:
C=CCCN(c1oc(c2c1cccc2)S)C(=O)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.339g/mol
Monoisotopic Mass:
261.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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