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Thiotropocin

CAT: 0013-GTR19196328-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196328-03Size:100 mg
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Description
Thiotropocin is a small molecule antibiotic compound utilized in research. It has been studied in vitro for its antimicrobial properties and serves as a tool in microbiology and antibiotic mechanism research.
CAS Number
89550-93-6
Field of Research
Infectious Disease & Virology
Smiles
O=C1OSC=2C (=S) C=CC=C (O) C12
Molecular Formula
C8H4O3S2
Molecular Weight
212.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thiotropocin

Thiotropocin is a thiocarbonyl compound that is 3,8-dihydrocyclohepta[c][1,2]oxathiole substituted at positions 3, 4 and 8 by oxo, hydroxy, and thiocarbonyl groups, respectively. It is an antibiotic first isolated in 1984 from the fermentation broth of Pseudomonas sp. CB104. It has a role as an antibacterial agent, a marine metabolite and a bacterial metabolite. It is an organic heterobicyclic compound, an organic hydroxy compound, an organosulfur heterocyclic compound, a thiocarbonyl compound and a thionoester. It is a tautomer of a tropodithietic acid.

CAS Number89550-93-6
PubChem CID55977
IUPAC Name8-sulfanylcyclohepta[c]oxathiole-3,4-dione
Molecular FormulaC8H4O3S2
Molecular Weight212.2
XLogP1.3
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity390
SMILES
C1=CC(=O)C2=C(C(=C1)S)SOC2=O
InChI
InChI=1S/C8H4O3S2/c9-4-2-1-3-5(12)7-6(4)8(10)11-13-7/h1-3,12H
InChIKey
RWJXTYSZCDAMCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiotropocin
CAS: 89550-93-6
CID: 55977
Formula: C8H4O3S2
MW: 212.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.2
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass211.96018633
Monoisotopic Mass211.96018633
Topological Polar Surface Area69.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity390
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
T28967-01Thiotropocin

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