Name: Name:2-amino-3-(4-methylbenzoyl)-4H,5H,7H-6lambda6-thieno[2,3-c]thiopyran-6,6-dione
Brand: Angene
SKU: AG01A6PQ
Rating: 90 (10 reviews)

2-amino-3-(4-methylbenzoyl)-4H,5H,7H-6lambda6-thieno[2,3-c]thiopyran-6,6-dione

CAS No.:

1803583-25-6

Catalog Number:

AG01A6PQ

Molecular Formula:

C15H15NO3S2

Molecular Weight:

321.4145

Catalog Number:

AG01A6PQ

Chemical Name:

2-amino-3-(4-methylbenzoyl)-4H,5H,7H-6lambda6-thieno[2,3-c]thiopyran-6,6-dione

CAS Number:

1803583-25-6

Molecular Formula:

C15H15NO3S2

Molecular Weight:

321.4145

MDL Number:

MFCD16864868

IUPAC Name:

(2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-methylphenyl)methanone

InChI:

InChI=1S/C15H15NO3S2/c1-9-2-4-10(5-3-9)14(17)13-11-6-7-21(18,19)8-12(11)20-15(13)16/h2-5H,6-8,16H2,1H3

InChI Key:

WTJZQABKGDJTHK-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)C(=O)c1c(N)sc2c1CCS(=O)(=O)C2

Complexity:

506

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

321.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

321.409g/mol

Monoisotopic Mass:

321.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

114A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8