Name: Name:5-(2-cyclohexylethyl)-1,3,4-oxadiazole-2-thiol
Brand: Angene
SKU: AG01AA1T
Rating: 90 (10 reviews)

5-(2-cyclohexylethyl)-1,3,4-oxadiazole-2-thiol

CAS No.:

1152542-39-6

Catalog Number:

AG01AA1T

Molecular Formula:

C10H16N2OS

Molecular Weight:

212.3118

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Product Description

Catalog Number:

AG01AA1T

Chemical Name:

5-(2-cyclohexylethyl)-1,3,4-oxadiazole-2-thiol

CAS Number:

1152542-39-6

Molecular Formula:

C10H16N2OS

Molecular Weight:

212.3118

MDL Number:

MFCD10692292

IUPAC Name:

5-(2-cyclohexylethyl)-3H-1,3,4-oxadiazole-2-thione

InChI:

InChI=1S/C10H16N2OS/c14-10-12-11-9(13-10)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,12,14)

InChI Key:

MAPBWVZZMBNBFL-UHFFFAOYSA-N

SMILES:

Sc1nnc(o1)CCC1CCCCC1

Properties

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.098g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.311g/mol

Monoisotopic Mass:

212.098g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Synthesis of novel 3-cyclohexylpropanoic acid-derived nitrogen heterocyclic compounds and their evaluation for tuberculostatic activity.	Bioorganic & medicinal chemistry 20120101