Structure Info
- Chemspace ID
- CSMB00052658824 (Enamine MADE)
- CAS
- 501680-57-5
- MFCD
- MFCD33493418
- IUPAC Name
- 2-bromobenzene-1-carbothioic S-acid
- Mol formula
- C7H5BrOS
- Mol weight
- 217 Da
- Catalog Number(s)
- BBV-106087507, CSC052658824, EN300-7166088, FCH7858633, IMED2751735929
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.91
- Heavy atoms count
- 10
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0
- Polar surface area (Å)
- 17
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00052658824
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