Name: Name:5-(2-methylfuran-3-yl)-1,3,4-oxadiazole-2-thiol
Brand: Angene
SKU: AG019J1J
Rating: 90 (10 reviews)

5-(2-methylfuran-3-yl)-1,3,4-oxadiazole-2-thiol

CAS No.:

560995-28-0

Catalog Number:

AG019J1J

Molecular Formula:

C7H6N2O2S

Molecular Weight:

182.1997

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Product Description

Catalog Number:

AG019J1J

Chemical Name:

5-(2-methylfuran-3-yl)-1,3,4-oxadiazole-2-thiol

CAS Number:

560995-28-0

Molecular Formula:

C7H6N2O2S

Molecular Weight:

182.1997

MDL Number:

MFCD04606933

IUPAC Name:

5-(2-methylfuran-3-yl)-3H-1,3,4-oxadiazole-2-thione

InChI:

InChI=1S/C7H6N2O2S/c1-4-5(2-3-10-4)6-8-9-7(12)11-6/h2-3H,1H3,(H,9,12)

InChI Key:

OJTIHWBSNPLNSU-UHFFFAOYSA-N

SMILES:

Sc1nnc(o1)c1ccoc1C

Properties

Complexity:

242

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:

78.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

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