Basic information
- CAS
21494-78-0- Standard SMILES
Cc1cc(N2C(=O)CSC2=S)ccc1Br- InChIKey
SCSBQFJJGSYFEZ-UHFFFAOYSA-N- Molecular formula
- C10H8BrNOS2
- Average molar mass
- 302.2 g/mol
- Monoisotopic mass
- 300.92307
Names & identifiers
- Preferred name
- Rhodanine, 3-(4-bromo-m-tolyl)-
- IUPAC
- 3-(4-bromo-3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 3-(4-Bromo-meta-tolyl)-rhodanine
- Molecular formula
- C10H8BrNOS2
- Molecular weight
- 302.21
Names & synonyms
Rhodanine, 3-(4-bromo-m-tolyl)-21494-78-03-(4-Bromo-m-tolyl)rhodanineNSC 142073DTXSID20175825RefChem:379273DTXCID8098316STH48RN3QLNSC-1420734-thiazolidinone, 3-(4-bromo-3-methylphenyl)-2-thioxo-3-(4-bromo-3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-oneNSC142073
Show more names
3-(4-Bromo-meta-tolyl)-rhodanine3-(4-Bromo-3-methylphenyl)-2-thioxo-4-thiazolidinone, 95%
UNII-STH48RN3QLAKOS024333582DS-0045613-(4-Bromo-3-methylphenyl)-2-thioxo-4-thiazolidinone3-(4-bromo-3-methyl-phenyl)-2-sulfanylidene-thiazolidin-4-one3-(4-bromo-3-methylphenyl)-2-thioxo-1,3-thiazolidin-4-one
Database identifiers
- CAS
21494-78-0- PubChem CID
- 210690
- DTXSID
DTXSID20175825- UNII
- STH48RN3QL
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 415 · 415.0±55.0 °C(Predicted)
- Density
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- pka
- -1.52 · -1.52±0.20(Predicted)
- FDA UNII
- 48 RN3QL · STH48RN3QL
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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