| Weight | 256.128 g/mol |
|---|---|
| Formula | C8H6BrN3S |
| Hydrogen Acceptors | 4 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 2 |
| Rotatable Bonds | 1 |
5-(4-Bromophenyl)-1,3,4-thiadiazol-2-amine (13178-12-6)
13178-12-6
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- Sigma-Aldrich - 5-(4-Bromophenyl)-1,3,4-thiadiazol-2-amine27.20 USD
- Fisher Scientific - Search for 5-(4-Bromophenyl)-1,3,4-thiadiazol-2-amine
- TCI - Search for 5-(4-Bromophenyl)-1,3,4-thiadiazol-2-amine
- Molecular cocrystals of 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine: hydrogen bonding in the structures of the 1:1 adduct with 2-(naphthalen-2-yloxy)acetic acid and the salt with 3,5-dinitrobenzoic acid. (Acta Crystallographica Section C-crystal Structure Communications, 2013)
- 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine- 4-nitrobenzoic acid (1/1) and the salt 2-amino-5-(4-bromophenyl)-1,3,4-thiadiazol-3-ium 2-carboxy-4,6-dinitrophenolate (2014)
- Molecular cocrystals of 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine: hydrogen bonding in the structures of the 1:1 adduct with 2-(naphthalen-2-yloxy)acetic acid and the salt with 3,5-dinitrobenzoic acid (Science & Engineering Faculty, 2013)
- Crystal structures of the co-crystalline adduct 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine--4-nitrobenzoic acid (1/1) and the salt 2-amino-5-(4-bromophenyl)-1,3,4-thiadiazol-3-ium 2-carboxy-4,6-dinitrophenolate (Science & Engineering Faculty, 2014)
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Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 13178-12-6
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SMILESC1=CC(=CC=C1C2=NN=C(S2)N)Br
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InChIKeyKNFZBJVESBZZMI-UHFFFAOYSA-N
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Safety
Alternate Names
Estimated Properties
| Boiling Point | 334.27 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 400.96 C | EPI Suite |
| Density | 1.54 g/cm3 | EPA T.E.S.T. |
| Flash Point | 195.73 C | EPA T.E.S.T. |
| Melting Point | 166.33 C | EPI Suite |
| Water Solubility | 16.08 mg/L | EPA T.E.S.T. |
| Water Solubility | 4383.7 mg/L | EPI Suite |
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Synthesis
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