Name: Name:3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanethioamide
Brand: Angene
SKU: AG00JI9E
Rating: 90 (10 reviews)

3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanethioamide

CAS No.:

57001-43-1

Catalog Number:

AG00JI9E

Molecular Formula:

C11H10N2O2S

Molecular Weight:

234.2743

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Product Description

Catalog Number:

AG00JI9E

Chemical Name:

3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanethioamide

CAS Number:

57001-43-1

Molecular Formula:

C11H10N2O2S

Molecular Weight:

234.2743

MDL Number:

MFCD02932980

IUPAC Name:

3-(1,3-dioxoisoindol-2-yl)propanethioamide

InChI:

InChI=1S/C11H10N2O2S/c12-9(16)5-6-13-10(14)7-3-1-2-4-8(7)11(13)15/h1-4H,5-6H2,(H2,12,16)

InChI Key:

DJQBXHATCJIPIV-UHFFFAOYSA-N

SMILES:

NC(=S)CCN1C(=O)c2c(C1=O)cccc2

Properties

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.046g/mol

Formal Charge:

Heavy Atom Count:

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Isotope Atom Count:

Molecular Weight:

234.273g/mol

Monoisotopic Mass:

234.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties