Name: Name:3-[(5-sulfanyl-1,3,4-oxadiazol-2-yl)methyl]-1lambda6-thiolane-1,1-dione
Brand: Angene
SKU: AG019OMY
Rating: 90 (10 reviews)

3-[(5-sulfanyl-1,3,4-oxadiazol-2-yl)methyl]-1lambda6-thiolane-1,1-dione

CAS No.:

869716-10-9

Catalog Number:

AG019OMY

Molecular Formula:

C7H10N2O3S2

Molecular Weight:

234.2959

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Product Description

Catalog Number:

AG019OMY

Chemical Name:

3-[(5-sulfanyl-1,3,4-oxadiazol-2-yl)methyl]-1lambda6-thiolane-1,1-dione

CAS Number:

869716-10-9

Molecular Formula:

C7H10N2O3S2

Molecular Weight:

234.2959

MDL Number:

MFCD07344333

IUPAC Name:

5-[(1,1-dioxothiolan-3-yl)methyl]-3H-1,3,4-oxadiazole-2-thione

InChI:

InChI=1S/C7H10N2O3S2/c10-14(11)2-1-5(4-14)3-6-8-9-7(13)12-6/h5H,1-4H2,(H,9,13)

InChI Key:

JOTGICFDWDTKPC-UHFFFAOYSA-N

SMILES:

Sc1nnc(o1)CC1CCS(=O)(=O)C1

Properties

Complexity:

382

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.013g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.288g/mol

Monoisotopic Mass:

234.013g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

Literature

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