3-(2-Methylpropyl)-1,2-thiazol-5-amine
Basic information
- CAS
95881-96-2- Standard SMILES
CC(C)Cc1cc(N)sn1- InChIKey
VKVMUONEHGTIFH-UHFFFAOYSA-N- Molecular formula
- C7H12N2S
- Average molar mass
- 156.25 g/mol
- Monoisotopic mass
- 156.07211956
Names & identifiers
- Preferred name
- 3-(2-Methylpropyl)-1,2-thiazol-5-amine
- IUPAC
- 3-(2-methylpropyl)-1,2-thiazol-5-amine
Names & synonyms
3-(2-Methylpropyl)-1,2-thiazol-5-amine95881-96-2RefChem:491226840-281-43-Isobutylisothiazol-5-amineCHEMBL4553363SCHEMBL10959137AKOS022715584DB-204681EN300-183838
Database identifiers
- CAS
95881-96-2- PubChem CID
- 21812876
- ChEMBL
CHEMBL4553363- EC Number
- 840-281-4
- Nikkaji
- J277.180B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 106
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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