Basic information
- CAS
314028-29-0- Standard SMILES
O=S1(=O)CC2SC(=S)N(c3ccccc3)C2C1- InChIKey
GZVKNHFSCYEGID-UHFFFAOYSA-N- Molecular formula
- C11H11NO2S3
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 284.99519211
Names & identifiers
- Preferred name
- 5,5-Dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione
- IUPAC
- 5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thione
Names & synonyms
5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazole-2-thioneMLS000333376314028-29-0SMR0004367603-phenyltetrahydrothieno[3,4-d][1,3]thiazole-2(3H)-thione 5,5-dioxideCHEMBL1893207BDBM69547cid_3691393DTXSID301333079HMS2786J21STK931052AKOS002275236
Show more names
AKOS016047355ST50179661N-phenylthiolano[3,4-d]thiazolidine-2-thione 5,5-dioxide3-phenyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide5,5-diketo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazole-2-thione5,5-dioxo-3-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazole-2-thione3-Phenyl-2-sulfanylidenehexahydro-5H-5lambda~6~-thieno[3,4-d][1,3]thiazole-5,5-dione4-phenyl-5-thioxo-1,3,4,6,3a,6a-hexahydro-2,6-dithia-4-azapentalene-2,2-dione
Database identifiers
- CAS
314028-29-0- PubChem CID
- 3691393
- DTXSID
DTXSID301333079- ChEMBL
CHEMBL1893207
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 422
Experimental & physicochemical properties
Solubility1.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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