Drug-likeness Properties
sLogP
2.436
HBD
2
HBA
2
AS113311-G1
Halides
Carboxylic acids
Sulfur functional groups
Benzene
5-Bromo-2-mercaptobenzoic acid 97%
CAS: 61954-80-1
Molecular Formula
C7H5BrO2S
Molecular Weight
233.08
MDL
MFCD07368339
Unit Size
Price per 1 g
€1,389.00
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5-Bromo-2-mercaptobenzoic acid 97%
Catalogue Number: AS113311-G1
C.A.S / related C.A.S
61954-80-1
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AS113311-G1
General Information
| Catalog #: | AS113311-G1 |
|---|---|
| Formula: | C7H5BrO2S |
| Mass: | 233.08 |
| C.A.S. / related C.A.S: | 61954-80-1 |
| MDL: | MFCD07368339 |
| Appearance: | solid |
| Colour: | clear |
| Hazardous Classification: | Giftig (Toxic) |
| Storage Temp: | 2-7°C Kühlschrank / Refrigerate |
| Dangerous Goods in Excepted Quantities: | UN2811 6.1 III |
| Tariff Code: | 2930.90.9599 |
| Stock: | 0 |
| Material Safety Data Sheet: |
Computational Information
| SlogP: | 2.436 |
|---|---|
| LabuteASA: | 77.77471536 |
| TPSA: | 37.3 |
| NumRotatableBonds: | 1 |
| NumHBD: | 2 |
| NumHBA: | 2 |
| NumHeavyAtoms: | 11 |
| NumRings: | 1 |