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Benzothiohydrazide

CAT: 0013-GTR19206450-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206450-03Size:50 mg
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Description
Benzothiohydrazide is an isoniazid analog exhibiting anti-tubercular properties. It serves as a useful agent in microbiological research for the selective isolation of fungi and bacteria in vitro. Its mechanism of action is studied in both biochemical and antimicrobial research fields.
CAS Number
20605-40-7
Field of Research
Infectious Disease & Virology
Smiles
NNC (=S) c1ccccc1
Molecular Formula
C7H8N2S
Molecular Weight
152.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-aminobenzenecarbothioamide
CAS Number20605-40-7
PubChem CID3361911
IUPAC Namebenzenecarbothiohydrazide
Molecular FormulaC7H8N2S
Molecular Weight152.22
XLogP0.8
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity119
SMILES
C1=CC=C(C=C1)C(=S)NN
InChI
InChI=1S/C7H8N2S/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
InChIKey
PNALOBAQBMAHBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-aminobenzenecarbothioamide
CAS: 20605-40-7
CID: 3361911
Formula: C7H8N2S
MW: 152.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.22
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass152.04081944
Monoisotopic Mass152.04081944
Topological Polar Surface Area70.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity119
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1429-50Benzothiohydrazide

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