Name: Name:1,3,4-Thiadiazole-2(3H)-thione, 5-(phenylamino)-
Brand: Angene
SKU: AG0007NG
Rating: 90 (10 reviews)

1,3,4-Thiadiazole-2(3H)-thione, 5-(phenylamino)-

CAS No.:

10253-83-5

Catalog Number:

AG0007NG

Molecular Formula:

C8H7N3S2

Molecular Weight:

209.2913

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Product Description

Catalog Number:

AG0007NG

Chemical Name:

1,3,4-Thiadiazole-2(3H)-thione, 5-(phenylamino)-

CAS Number:

10253-83-5

Molecular Formula:

C8H7N3S2

Molecular Weight:

209.2913

MDL Number:

MFCD00125876

IUPAC Name:

5-anilino-3H-1,3,4-thiadiazole-2-thione

InChI:

InChI=1S/C8H7N3S2/c12-8-11-10-7(13-8)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12)

InChI Key:

BOJLJKMUGYYKCZ-UHFFFAOYSA-N

SMILES:

S=c1[nH]nc(s1)Nc1ccccc1

EC Number:

233-592-6

Properties

Complexity:

234

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.008g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

209.285g/mol

Monoisotopic Mass:

209.008g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Protease inhibitors: synthesis of matrix metalloproteinase and bacterial collagenase inhibitors incorporating 5-amino-2-mercapto-1,3,4-thiadiazole zinc binding functions.	Bioorganic & medicinal chemistry letters 20021007

Properties