Basic information
- CAS
89550-93-6- Standard SMILES
O=c1cccc(S)c2soc(=O)c12- InChIKey
RWJXTYSZCDAMCD-UHFFFAOYSA-N- Molecular formula
- C8H4O3S2
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 211.96018633
Overview
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.
Names & identifiers
- Preferred name
- Thiotropocin
- IUPAC
- 8-sulfanylcyclohepta[c]oxathiole-3,4-dione
- English name
- thiotropocin
- Molecular formula
- C8H4O3S2
- Molecular weight
- 212.25
Names & synonyms
Thiotropocin8-sulfanylcyclohepta[c]oxathiole-3,4-dioneCHEBI:296948-sulfanylcyclohepta(c)oxathiole-3,4-dioneRefChem:18966689550-93-6BRN 4415507CB-104Cyclohept(c)(1,2)oxathiol-3(8H)-one, 4-hydroxy-8-thioxo-4-Hydroxy-8-thioxocyclohepta[c][1,2]oxathiol-3(8H)-one4-Hydroxy-8-thioxocyclohept(c)-1,2-oxathiol-3(8H)-oneCyclohept[c][1,2]oxathiol-3(8H)-one, 4-hydroxy-8-thioxo-
Show more names
4-Hydroxy-8-thioxocyclohept[c][1,2]oxathiol-3(8H)-one
starbld0006428SCHEMBL455699orb1699137SCHEMBL29371860DTXSID4010088654-hydroxy-8-sulfanylidene-3H,8H-cyclohepta[c][1,2]oxathiol-3-oneAKOS040749644HY-111190
Database identifiers
- CAS
89550-93-6- PubChem CID
- 55977
- DTXSID
DTXSID401008865- ChEBI
CHEBI:29694- Nikkaji
- J2.560.251J、J203.828E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 390
Chemistry & industry
Applications
DescriptionThiotropocin is a sulfur-containing 7-membered-ring antibiotic.
UsesThiotropocin is a tropothione Antibiotic with antibacterial activities against Gram-positive and Gram-negative bacteria, some phytopathogens and mycoplasma. Thiotropocin causes morphological changes of Proteus mirabilis and Escherichia coli[1].
Suppliers3 total
BOC Sciences16314854226; +8616314854226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: 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 bacterial metabolite and a marine metabolite. It is an organic hydroxy compound, a thiocarbonyl compound, an organic heterobicyclic compound, a thionoester and an organosulfur heterocyclic compound. It is a tautomer of a tropodithietic acid.
Related reactions
0 records
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Compound notes
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