Name: Name:1-(difluoromethyl)-1H-1,3-benzodiazole-2-thiol
Brand: Angene
SKU: AG019OVO
Rating: 90 (10 reviews)

1-(difluoromethyl)-1H-1,3-benzodiazole-2-thiol

CAS No.:

874623-43-5

Catalog Number:

AG019OVO

Molecular Formula:

C8H6F2N2S

Molecular Weight:

200.2084

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Product Description

Catalog Number:

AG019OVO

Chemical Name:

1-(difluoromethyl)-1H-1,3-benzodiazole-2-thiol

CAS Number:

874623-43-5

Molecular Formula:

C8H6F2N2S

Molecular Weight:

200.2084

MDL Number:

MFCD24389225

IUPAC Name:

3-(difluoromethyl)-1H-benzimidazole-2-thione

InChI:

InChI=1S/C8H6F2N2S/c9-7(10)12-6-4-2-1-3-5(6)11-8(12)13/h1-4,7H,(H,11,13)

InChI Key:

DBYSDRXFCQQCBC-UHFFFAOYSA-N

SMILES:

FC(n1c(S)nc2c1cccc2)F

Properties

Complexity:

222

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.022g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.207g/mol

Monoisotopic Mass:

200.022g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

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