Drug-likeness Properties
sLogP
2.1033
HBD
0
HBA
5
AS23592-G1
Sulfur functional groups
Benzene
Methyl 5-(Methylthio)-2-nitrobenzoate 97%
CAS: 68701-33-7
Molecular Formula
C9H9NO4S
Molecular Weight
227.24
MDL
MFCD18071040
Unit Size
Price per 1 g
€174.00
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PRODUCT ATTACHED TO REQUEST:
Methyl 5-(Methylthio)-2-nitrobenzoate 97%
Catalogue Number: AS23592-G1
C.A.S / related C.A.S
68701-33-7
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AS23592-G1
General Information
| Catalog #: | AS23592-G1 |
|---|---|
| Formula: | C9H9NO4S |
| Mass: | 227.24 |
| C.A.S. / related C.A.S: | 68701-33-7 |
| MDL: | MFCD18071040 |
| Appearance: | powder |
| Colour: | off white |
| Hazardous Classification: | Achtung / Warning |
| Storage Temp: | 2-7°C Kühlschrank / Refrigerate |
| Dangerous Goods in Excepted Quantities: | |
| Tariff Code: | 2930.90.9599 |
| Stock: | 0 |
| Material Safety Data Sheet: |
Computational Information
| SlogP: | 2.1033 |
|---|---|
| LabuteASA: | 90.57738254 |
| TPSA: | 69.44 |
| NumRotatableBonds: | 3 |
| NumHBD: | 0 |
| NumHBA: | 5 |
| NumHeavyAtoms: | 15 |
| NumRings: | 1 |