N,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide
Basic information
- CAS
168612-06-4- Standard SMILES
CCCCN(CCCC)C(=O)Cn1[nH]nnc1=S- InChIKey
SFHFLYXVMFGEGF-UHFFFAOYSA-N- Molecular formula
- C11H21N5OS
- Average molar mass
- 271.39 g/mol
- Monoisotopic mass
- 271.14668148
Names & identifiers
- Preferred name
- N,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide
- IUPAC
- N,N-dibutyl-2-(5-sulfanylidene-2H-tetrazol-1-yl)acetamide
- English name
- N,N-Dibutyl-2,5-dihydro-5-thioxo-1H-tetrazole-1-acetamide
- Molecular formula
- C11H21N5OS
- Molecular weight
- 271.38
Names & synonyms
SCHEMBL8019096SCHEMBL19667687N,N-Dibutyl-2,5-dihydro-5-thioxo-1H-tetrazole-1-acetamideN-butyl-2-(2-butyl-5-sulfanylidenetetrazol-1-yl)acetamide1H-Tetrazole-1-acetamide, N,N-dibutyl-2,5-dihydro-5-thioxo-N,N-dibutyl-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)acetamide
Database identifiers
- CAS
168612-06-4- PubChem CID
- 15765992
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 361.8 · 361.8±44.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 0.45 · 0.45±0.20(Predicted)
- EPA Substance Registry System
- 1 H-Tetrazole-1-acetamide, · 1H-Tetrazole-1-acetamide, N,N-dibutyl-2,5-dihydro-5-thioxo- (168612-06-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
- REACH Registrations
- Inactive
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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