Name: Name:N-[2-Methanethiosulfonylethyl]-7-methoxycoumarin-4-acetamide
Brand: Angene
SKU: AG004CSD
Rating: 90 (10 reviews)

N-[2-Methanethiosulfonylethyl]-7-methoxycoumarin-4-acetamide

CAS No.:

887406-79-3

Catalog Number:

AG004CSD

Molecular Formula:

C15H17NO6S2

Molecular Weight:

371.4286

Catalog Number:

AG004CSD

Chemical Name:

N-[2-Methanethiosulfonylethyl]-7-methoxycoumarin-4-acetamide

CAS Number:

887406-79-3

Molecular Formula:

C15H17NO6S2

Molecular Weight:

371.4286

MDL Number:

MFCD01320421

IUPAC Name:

2-(7-methoxy-2-oxochromen-4-yl)-N-(2-methoxysulfonothioylethyl)acetamide

InChI:

InChI=1S/C15H17NO6S2/c1-20-11-3-4-12-10(8-15(18)22-13(12)9-11)7-14(17)16-5-6-24(19,23)21-2/h3-4,8-9H,5-7H2,1-2H3,(H,16,17)

InChI Key:

QDGMKGDMTFRXOJ-UHFFFAOYSA-N

SMILES:

COc1ccc2c(c1)oc(=O)cc2CC(=O)NCCS(=S)(=O)OC

Complexity:

626

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

371.05g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

371.422g/mol

Monoisotopic Mass:

371.05g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

131A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8