3-Amino-5-(Tert-Butyl)Thiophene-2-Carboxamide
Basic information
- CAS
175137-04-9- Standard SMILES
CC(C)(C)c1cc(N)c(C(N)=O)s1- InChIKey
MKHZJBZWKNDDCN-UHFFFAOYSA-N- Molecular formula
- C9H14N2OS
- Average molar mass
- 198.29 g/mol
- Monoisotopic mass
- 198.08268407
Overview
3-Amino-5-(tert-butyl)thiophene-2-carboxamide is a member of thiophenes and an aromatic amide.
Names & identifiers
- Preferred name
- 3-Amino-5-(Tert-Butyl)Thiophene-2-Carboxamide
- IUPAC
- 3-amino-5-tert-butylthiophene-2-carboxamide
- English name
- 3-Amino-5-(tert-butyl)thiophene-2-carboxamide
- Molecular formula
- C9H14N2OS
- Molecular weight
- 198.29
Names & synonyms
175137-04-93-Amino-5-(Tert-Butyl)Thiophene-2-CarboxamideDTXSID30370662RefChem:276519DTXCID50321696639-295-13-amino-5-tert-butylthiophene-2-carboxamideMFCD000681652-Thiophenecarboxamide, 3-amino-5-(1,1-dimethylethyl)-3-Amino-5-(tertbutyl)thiophene-2-carboxamide3-amino-5-(tert-butyl)thiophene-2-carboximidic acid3-Amino-5-(tert-butyl)thiophene-2-carboxamid
Show more names
Compound Fr12879BUTTPARK 46\18-773-Amino-5-(tert-butyl)-2-carbamoylthiophene3-amino-5-tert-butyl-2-thiophenecarboxamide3-AMINO-5-(TERT-BUTY)THIOPHENE-2-CARBOXAMIDE3-Amino-5-(tert-butyl)thiophene-2-carboxamide98%3-Amino-5-(tert-butyl)-2-carbamoylthiophene, 3-Amino-2-(aminocarbonyl)-5-(tert-butyl)thiophene
Maybridge1_0037175-tert-butyl-3-aminothiophene-2-carboxamideA1AY0Oprea1_331582SCHEMBL164073orb3170005HMS552A21CHEBI:194586
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 146 °C · 146 °C
- Boiling point
- 329.8 · 329.8±42.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- pka
- 15.86 · 15.86±0.50(Predicted)
- CAS DataBase Reference
- 175137 · 175137-04-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P280
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-43-22
- Safety Statements
- 26 · 26-36/37/39-36/37
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2934999090
- risk_code
- 36/37/38-43-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-36/37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P280
Chemistry & industry
Applications
Uses3-Amino-5-(tert-butyl)thiophene-2-carboxamide is a useful research intermediate for organic synthesis.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 3-Amino-5-(tert-butyl)thiophene-2-carboxamide is a member of thiophenes and an aromatic amide.
Related reactions
1 records
Compound notes
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