Name: Name:3-tert-Butyl-1H-1,2,4-triazole-5-thiol
Brand: Angene
SKU: AG0079T6
Rating: 90 (10 reviews)

3-tert-Butyl-1H-1,2,4-triazole-5-thiol

CAS No.:

38449-51-3

Catalog Number:

AG0079T6

Molecular Formula:

C6H11N3S

Molecular Weight:

157.2366

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Product Description

Catalog Number:

AG0079T6

Chemical Name:

3-tert-Butyl-1H-1,2,4-triazole-5-thiol

CAS Number:

38449-51-3

Molecular Formula:

C6H11N3S

Molecular Weight:

157.2366

MDL Number:

MFCD00177195

IUPAC Name:

5-tert-butyl-1,2-dihydro-1,2,4-triazole-3-thione

InChI:

InChI=1S/C6H11N3S/c1-6(2,3)4-7-5(10)9-8-4/h1-3H3,(H2,7,8,9,10)

InChI Key:

HKLNUWXQCMKCNX-UHFFFAOYSA-N

SMILES:

Sc1[nH]nc(n1)C(C)(C)C

EC Number:

253-939-5

Properties

Complexity:

190

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

157.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

157.235g/mol

Monoisotopic Mass:

157.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
3-mercapto-1,2,4-triazoles and N-acylated thiosemicarbazides as metallo-β-lactamase inhibitors.	Bioorganic & medicinal chemistry letters 20120101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties