Name: Name:5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole
Brand: Angene
SKU: AG01BCZE
Rating: 90 (10 reviews)

5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole

CAS No.:

1256164-24-5

Catalog Number:

AG01BCZE

Molecular Formula:

C9H9N3S

Molecular Weight:

191.2529

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Product Description

Catalog Number:

AG01BCZE

Chemical Name:

5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole

CAS Number:

1256164-24-5

Molecular Formula:

C9H9N3S

Molecular Weight:

191.2529

MDL Number:

MFCD23133169

IUPAC Name:

4-(phenylsulfanylmethyl)-2H-triazole

InChI:

InChI=1S/C9H9N3S/c1-2-4-9(5-3-1)13-7-8-6-10-12-11-8/h1-6H,7H2,(H,10,11,12)

InChI Key:

IEHAAJNQHNAQBA-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)SCc1cnn[nH]1

Properties

Complexity:

148

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

191.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

191.252g/mol

Monoisotopic Mass:

191.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition.	Journal of medicinal chemistry 20120614