5-(1,1-Dimethylpropyl)-1,3,4-thiadiazol-2-amine
Basic information
- CAS
89881-38-9- Standard SMILES
CCC(C)(C)c1nnc(N)s1- InChIKey
ORIWBDUUQYFUBC-UHFFFAOYSA-N- Molecular formula
- C7H13N3S
- Average molar mass
- 171.27 g/mol
- Monoisotopic mass
- 171.0830186
Names & identifiers
- Preferred name
- 5-(1,1-Dimethylpropyl)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine
- English name
- CHEMBRDG-BB 7222321
- Molecular formula
- C7H13N3S
- Molecular weight
- 171.26
Names & synonyms
89881-38-95-(1,1-dimethylpropyl)-1,3,4-thiadiazol-2-amine5-(tert-Pentyl)-1,3,4-thiadiazol-2-amine5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amineMFCD026122821,3,4-thiadiazol-2-amine, 5-(1,1-dimethylpropyl)-ALBB-010041BAS 05277747Oprea1_551846SCHEMBL22736874DTXSID40355268CHEMBRDG-BB 7222321
Show more names
5-(1,1-dimethylpropyl)-1,3,4-thiadiazol-2-amine(SALTDATA: FREE)
HMS1682D07STK417229AKOS000652770LS-03423SY318381CS-0313816ST450561372-Amino-5-(tert-pentyl)-1,3,4-thiadiazole
Database identifiers
- CAS
89881-38-9- PubChem CID
- 795351
- DTXSID
DTXSID40355268
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 287.1 · 287.1±23.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 3.89 · 3.89±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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