Basic information
- CAS
84212-01-1- Standard SMILES
CCSc1ccc(CN)cc1- InChIKey
UBUPKYLDQOUBFF-UHFFFAOYSA-N- Molecular formula
- C9H13NS
- Average molar mass
- 167.27 g/mol
- Monoisotopic mass
- 167.07687059
Names & identifiers
- Preferred name
- [4-(Ethylsulfanyl)phenyl]methanamine
- IUPAC
- (4-ethylsulfanylphenyl)methanamine
Names & synonyms
84212-01-1[4-(ethylsulfanyl)phenyl]methanamine(4-(ethylsulfanyl)phenyl)methanamineRefChem:402232971-965-1(4-(ethylthio)phenyl)methanamine(4-ethylsulfanylphenyl)methanamine4-(ethylthio)benzylamineSCHEMBL15485754UBUPKYLDQOUBFF-UHFFFAOYSA-NAKOS009559497AT20991
Show more names
CS-0247700EN300-372065
Database identifiers
- CAS
84212-01-1- PubChem CID
- 12842467
- EC Number
- 971-965-1
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97.7
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]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, 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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