Name: Name:1,3,4-Thiadiazole-2(3H)-thione, 5-[(3-chlorophenyl)amino]-
Brand: Angene
SKU: AG00ICQM
Rating: 90 (10 reviews)

1,3,4-Thiadiazole-2(3H)-thione, 5-[(3-chlorophenyl)amino]-

CAS No.:

76462-59-4

Catalog Number:

AG00ICQM

Molecular Formula:

C8H6ClN3S2

Molecular Weight:

243.7363

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Product Description

Catalog Number:

AG00ICQM

Chemical Name:

1,3,4-Thiadiazole-2(3H)-thione, 5-[(3-chlorophenyl)amino]-

CAS Number:

76462-59-4

Molecular Formula:

C8H6ClN3S2

Molecular Weight:

243.7363

MDL Number:

MFCD06655525

IUPAC Name:

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

InChI:

InChI=1S/C8H6ClN3S2/c9-5-2-1-3-6(4-5)10-7-11-12-8(13)14-7/h1-4H,(H,10,11)(H,12,13)

InChI Key:

SWLINHYKFUPWGE-UHFFFAOYSA-N

SMILES:

Clc1cccc(c1)Nc1nnc(s1)S

Properties

Complexity:

269

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.969g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.727g/mol

Monoisotopic Mass:

242.969g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

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