2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline
Basic information
- CAS
114461-58-4- Standard SMILES
Nc1ccccc1SCc1ccsc1- InChIKey
QUGTZMZGSFXNQM-UHFFFAOYSA-N- Molecular formula
- C11H11NS2
- Average molar mass
- 221.3 g/mol
- Monoisotopic mass
- 221.0332917
Names & identifiers
- Preferred name
- 2-{[(Thiophen-3-yl)methyl]sulfanyl}aniline
- IUPAC
- 2-(thiophen-3-ylmethylsulfanyl)aniline
Names & synonyms
114461-58-42-{[(thiophen-3-yl)methyl]sulfanyl}aniline2-(((thiophen-3-yl)methyl)sulfanyl)anilineRefChem:447201107-460-22-[(thien-3-ylmethyl)thio]aniline2-(thiophen-3-ylmethylsulfanyl)aniline2-[(thiophen-3-ylmethyl)sulfanyl]aniline2-((Thiophen-3-ylmethyl)thio)anilineMFCD07690487AKOS009044551EN300-15313
Show more names
Z126796364
Database identifiers
- CAS
114461-58-4- PubChem CID
- 7064089
- EC Number
- 107-460-2
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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