Basic information
- CAS
79685-33-9- Standard SMILES
O=S(=O)(Cc1cccs1)c1ncc(Br)cn1- InChIKey
DDFKYMKZRGHLAK-UHFFFAOYSA-N- Molecular formula
- C9H7BrN2O2S2
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 317.91323
Overview
induces cell cycle specific inhibition in metaphase; structure given in first source
Names & identifiers
- Preferred name
- 2-(2-Thenyl)sulfonyl-5-bromopyrimidine
- IUPAC
- 5-bromo-2-(thiophen-2-ylmethylsulfonyl)pyrimidine
- English name
- 2-(2-thenyl)sulfonyl-5-bromopyrimidine
- Molecular weight
- 0
Names & synonyms
2-(2-Thenyl)sulfonyl-5-bromopyrimidine79685-33-95-Bromo-2-((2-thienylmethyl)sulfonyl)pyrimidineNSC-360490NY-4137E5FVW29N9WDTXSID00229830Pyrimidine, 5-bromo-2-((2-thienylmethyl)sulfonyl)-5-Bromo-2-[(2-thienylmethyl)sulfonyl]pyrimidinePyrimidine, 5-bromo-2-[(2-thienylmethyl)sulfonyl]-RefChem:84123DTXCID50152321
Show more names
5-bromo-2-(thiophen-2-ylmethylsulfonyl)pyrimidineNSC 360490NY 4137SCHEMBL10973380NSC3604905-Bromo-2-[(thiophen-2-yl)methanesulfonyl]pyrimidine
Database identifiers
- CAS
79685-33-9- PubChem CID
- 100747
- DTXSID
DTXSID00229830- UNII
- E5FVW29N9W
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- FDA UNII
- 5 FVW29N9W · E5FVW29N9W
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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