Tropodithietic acid

CAS	750590-18-2
Structure
Description	Tropodithietic acid is a sulfur-containing antibiotic produced by the marine bacterium Phaeobacter inhibens.
Synonyms	Tropodithietic acid [TDA]
IUPAC Name	3-Oxo-8,9-dithiabicyclo[5.2.0]nona-1,4,6-triene-2-carboxylic acid
Molecular Weight	212.2
Molecular Formula	C8H4O3S2
Canonical SMILES	O=C1C=CC=C2C(SS2)=C1C(O)=O
InChI	InChI=1S/C8H4O3S2/c9-4-2-1-3-5-7(13-12-5)6(4)8(10)11/h1-3H,(H,10,11)
InChI Key	BLFCMITWMARUSM-UHFFFAOYSA-N
Purity	95%+
Solubility	Soluble in DMSO
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.
Complexity	390
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	211.96018633
Heavy Atom Count	13
Monoisotopic Mass	211.96018633
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	105 Ų