Name: Name:3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-methoxyphenyl)-4-(2-propen-1-yl)-
Brand: Angene
SKU: AG002MHO
Rating: 90 (10 reviews)

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-methoxyphenyl)-4-(2-propen-1-yl)-

CAS No.:

23195-30-4

Catalog Number:

AG002MHO

Molecular Formula:

C12H13N3OS

Molecular Weight:

247.3161

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Product Description

Catalog Number:

AG002MHO

Chemical Name:

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-methoxyphenyl)-4-(2-propen-1-yl)-

CAS Number:

23195-30-4

Molecular Formula:

C12H13N3OS

Molecular Weight:

247.3161

MDL Number:

MFCD01959323

IUPAC Name:

3-(2-methoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C12H13N3OS/c1-3-8-15-11(13-14-12(15)17)9-6-4-5-7-10(9)16-2/h3-7H,1,8H2,2H3,(H,14,17)

InChI Key:

DPRJSPFDWWPZKN-UHFFFAOYSA-N

SMILES:

C=CCn1c(=S)[nH]nc1c1ccccc1OC

Properties

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.316g/mol

Monoisotopic Mass:

247.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

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

Properties