Name: Name:5-{[4-(propan-2-yl)phenyl]amino}-1,3,4-thiadiazole-2-thiol
Brand: Angene
SKU: AG019HAI
Rating: 90 (10 reviews)

5-{[4-(propan-2-yl)phenyl]amino}-1,3,4-thiadiazole-2-thiol

CAS No.:

380335-66-0

Catalog Number:

AG019HAI

Molecular Formula:

C11H13N3S2

Molecular Weight:

251.3710

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Purity

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Product Description

Catalog Number:

AG019HAI

Chemical Name:

5-{[4-(propan-2-yl)phenyl]amino}-1,3,4-thiadiazole-2-thiol

CAS Number:

380335-66-0

Molecular Formula:

C11H13N3S2

Molecular Weight:

251.3710

MDL Number:

MFCD02724842

IUPAC Name:

5-(4-propan-2-ylanilino)-3H-1,3,4-thiadiazole-2-thione

InChI:

InChI=1S/C11H13N3S2/c1-7(2)8-3-5-9(6-4-8)12-10-13-14-11(15)16-10/h3-7H,1-2H3,(H,12,13)(H,14,15)

InChI Key:

JIXKQGPKUYDYPH-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)Nc1nnc(s1)S)C

NSC Number:

343546

Properties

Complexity:

294

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.366g/mol

Monoisotopic Mass:

251.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
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