N,N-Dibutyl-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)acetamide
Basic information
- CAS
168612-06-4- Standard SMILES
CCCCNC(=O)Cn1c(=S)nnn1CCCC- InChIKey
WUZXYLARULJIJQ-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-dihydro-5-thioxo-1H-tetrazol-1-yl)acetamide
- IUPAC
- N-butyl-2-(2-butyl-5-sulfanylidenetetrazol-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
168612-06-4N,N-dibutyl-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)acetamide1H-Tetrazole-1-acetamide, N,N-dibutyl-2,5-dihydro-5-thioxo-EC 418-290-6RefChem:161133418-290-6N-butyl-2-(2-butyl-5-sulfanylidenetetrazol-1-yl)acetamideSCHEMBL15688090DTXSID00937509WUZXYLARULJIJQ-UHFFFAOYSA-NN-Butyl(2-butyl-5-sulfanylidene-2,5-dihydro-1H-tetrazol-1-yl)ethanimidic acidN-Butyl-2-(2-butyl-5-sulfanylidene-2,5-dihydro-1H-tetrazol-1-yl)ethanimidic acid
Show more names
N,N-Dibutyl-2,5-dihydro-5-thioxo-1H-tetrazole-1-acetamide
Database identifiers
- CAS
168612-06-4- PubChem CID
- 178122
- DTXSID
DTXSID00937509- EC Number
- 418-290-6
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 321
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.
GHS classification
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 1H- Tetrazole -1 -acetamide, N, N-dibutyl -2,5 dihydro - 5-thioxo-
REACH registered substance: 1H-Tetrazole-1-acetamide, N,N-dibutyl-2,5-dihydro-5-thioxo- (EC: 418-290-6)
N,N-dibutyl-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)acetamide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Sens. 1 (100%)
Eye irritation - category 2
Eye Irrit. 2
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
Suppliers
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Compound notes
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