Name: Name:2(3H)-Benzoxazolethione, 5-(ethylsulfonyl)-
Brand: Angene
SKU: AG001O00
Rating: 90 (10 reviews)

2(3H)-Benzoxazolethione, 5-(ethylsulfonyl)-

CAS No.:

155559-80-1

Catalog Number:

AG001O00

Molecular Formula:

C9H9NO3S2

Molecular Weight:

243.3027

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Product Description

Catalog Number:

AG001O00

Chemical Name:

2(3H)-Benzoxazolethione, 5-(ethylsulfonyl)-

CAS Number:

155559-80-1

Molecular Formula:

C9H9NO3S2

Molecular Weight:

243.3027

MDL Number:

MFCD03983100

IUPAC Name:

5-ethylsulfonyl-3H-1,3-benzoxazole-2-thione

InChI:

InChI=1S/C9H9NO3S2/c1-2-15(11,12)6-3-4-8-7(5-6)10-9(14)13-8/h3-5H,2H2,1H3,(H,10,14)

InChI Key:

NGYFZFOTGFAZBR-UHFFFAOYSA-N

SMILES:

CCS(=O)(=O)c1ccc2c(c1)[nH]c(=S)o2

Properties

Complexity:

360

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.002g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.295g/mol

Monoisotopic Mass:

243.002g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

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