Name: Name:1H,2H,3H,4H,5H-thieno[3,2-e][1,4]diazepine-2,5-dione
Brand: Angene
SKU: AG01ABD4
Rating: 90 (10 reviews)

1H,2H,3H,4H,5H-thieno[3,2-e][1,4]diazepine-2,5-dione

CAS No.:

934602-56-9

Catalog Number:

AG01ABD4

Molecular Formula:

C7H6N2O2S

Molecular Weight:

182.1997

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Product Description

Catalog Number:

AG01ABD4

Chemical Name:

1H,2H,3H,4H,5H-thieno[3,2-e][1,4]diazepine-2,5-dione

CAS Number:

934602-56-9

Molecular Formula:

C7H6N2O2S

Molecular Weight:

182.1997

MDL Number:

MFCD18089388

IUPAC Name:

3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione

InChI:

InChI=1S/C7H6N2O2S/c10-5-3-8-7(11)6-4(9-5)1-2-12-6/h1-2H,3H2,(H,8,11)(H,9,10)

InChI Key:

XNNDUYCDMJNOMI-UHFFFAOYSA-N

SMILES:

O=C1CNC(=O)c2c(N1)ccs2

Properties

Complexity:

231

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.197g/mol

Monoisotopic Mass:

182.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2

Literature

Title	Journal
Reactivity study of 1H-thieno[3,2-d][1,3]oxazine-2,4-dione toward the synthesis of bicyclic 3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione analogues.	The Journal of organic chemistry 20070330