CAS 1212106-20-1 | 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol | CAS Number 1212106-20-1

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Heterocycles > 1212106-20-1

1212106-20-1 | 4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol

CAS No: 1212106-20-1 Catalog No: AG019I3F MDL No:

Product Description

Catalog Number:

AG019I3F

Chemical Name:

4-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol

CAS Number:

1212106-20-1

Molecular Formula:

C15H19N3S2

Molecular Weight:

305.4615

IUPAC Name:

4-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C15H19N3S2/c1-9(12-8-10-4-5-11(12)7-10)18-14(16-17-15(18)19)13-3-2-6-20-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,17,19)

InChI Key:

KRZVVHTVRHOLOK-UHFFFAOYSA-N

SMILES:

Sc1nnc(n1C(C1CC2CC1CC2)C)c1cccs1

Properties

Complexity:

450

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

305.102g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

305.458g/mol

Monoisotopic Mass:

305.102g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

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