Name: Name:5-{[3-(morpholin-4-yl)propyl]amino}-1,3,4-thiadiazole-2-thiol
Brand: Angene
SKU: AG019P2F
Rating: 90 (10 reviews)

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

CAS No.:

794554-82-8

Catalog Number:

AG019P2F

Molecular Formula:

C9H16N4OS2

Molecular Weight:

260.3795

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Product Description

Catalog Number:

AG019P2F

Chemical Name:

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

CAS Number:

794554-82-8

Molecular Formula:

C9H16N4OS2

Molecular Weight:

260.3795

MDL Number:

MFCD06366763

IUPAC Name:

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

InChI:

InChI=1S/C9H16N4OS2/c15-9-12-11-8(16-9)10-2-1-3-13-4-6-14-7-5-13/h1-7H2,(H,10,11)(H,12,15)

InChI Key:

MYSLHXSJJRCBGO-UHFFFAOYSA-N

SMILES:

Sc1nnc(s1)NCCCN1CCOCC1

Properties

Complexity:

279

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.374g/mol

Monoisotopic Mass:

260.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

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

Properties