Name: Name:1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3,4-tetrazole-5-thiol
Brand: Angene
SKU: AG019O2T
Rating: 90 (10 reviews)

1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3,4-tetrazole-5-thiol

CAS No.:

799251-42-6

Catalog Number:

AG019O2T

Molecular Formula:

C8H5F3N4OS

Molecular Weight:

262.2117

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Product Description

Catalog Number:

AG019O2T

Chemical Name:

1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3,4-tetrazole-5-thiol

CAS Number:

799251-42-6

Molecular Formula:

C8H5F3N4OS

Molecular Weight:

262.2117

MDL Number:

MFCD06010274

IUPAC Name:

1-[4-(trifluoromethoxy)phenyl]-2H-tetrazole-5-thione

InChI:

InChI=1S/C8H5F3N4OS/c9-8(10,11)16-6-3-1-5(2-4-6)15-7(17)12-13-14-15/h1-4H,(H,12,14,17)

InChI Key:

IGNYLBCSNHGHSU-UHFFFAOYSA-N

SMILES:

Sc1nnnn1c1ccc(cc1)OC(F)(F)F

Properties

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.21g/mol

Monoisotopic Mass:

262.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101