Name: Name:2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
Brand: Angene
SKU: AG019JRL
Rating: 90 (10 reviews)

2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid

CAS No.:

757220-14-7

Catalog Number:

AG019JRL

Molecular Formula:

C10H8N2O2S3

Molecular Weight:

284.3777

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Product Description

Catalog Number:

AG019JRL

Chemical Name:

2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid

CAS Number:

757220-14-7

Molecular Formula:

C10H8N2O2S3

Molecular Weight:

284.3777

MDL Number:

MFCD06342743

IUPAC Name:

2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid

InChI:

InChI=1S/C10H8N2O2S3/c13-8(14)6-16-9-11-12(10(15)17-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)

InChI Key:

MEPMPDDNJUVAFU-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1sc(=S)n(n1)c1ccccc1

Properties

Complexity:

354

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

283.975g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

284.366g/mol

Monoisotopic Mass:

283.975g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

136A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

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