Basic information
- CAS
17124-80-0- Standard SMILES
NCCSc1nc2ccccc2[nH]1- InChIKey
VRYQWOHUFXJQHB-UHFFFAOYSA-N- Molecular formula
- C9H11N3S
- Average molar mass
- 193.27 g/mol
- Monoisotopic mass
- 193.06736854
Names & identifiers
- Preferred name
- 2-((1H-benzo[d]imidazol-2-yl)thio)ethanamine
- IUPAC
- 2-(1H-benzimidazol-2-ylsulfanyl)ethanamine
- English name
- Ethanamine, 2-(1H-benzimidazol-2-ylthio)- (9CI)
- Molecular formula
- C9H11N3S
- Molecular weight
- 193.27
Names & synonyms
17124-80-02-((1H-benzo[d]imidazol-2-yl)thio)ethanamine2-(1H-benzimidazol-2-ylsulfanyl)ethanamine2-benzimidazol-2-ylthioethylamine2-[(1H-Benzimidazol-2-yl)sulfanyl]ethan-1-amine--hydrogen bromide (1/2)Enamine_0003292-(1H-Benzoimidazol-2-ylsulfanyl)-ethylamineOprea1_532245Ethanamine, 2-(1H-benzimidazol-2-ylthio)- (9CI)SCHEMBL6530086HMS1394O21SBB010896
Show more names
AKOS000204454DB-275718Ethanamine, 2-(1H-benzimidazol-2-ylthio)-ST502681772-(1 h-benzoimidazol-2-ylsulfanyl)-ethylamineEN300-2426912-[(2-aminoethyl)sulfanyl]-1h-1,3-benzodiazole2-(1H-1,3-benzodiazol-2-ylsulfanyl)ethan-1-amine
Database identifiers
- CAS
17124-80-0- PubChem CID
- 24324
- EC Number
- 182-314-9
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 228 · 228-229 °C(Solv: ethanol (64-17-5))
- Boiling point
- 401 · 401.0±47.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 10.75 · 10.75±0.10(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
Fluorochem Ltd[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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