Basic information
- CAS
179246-28-7- Standard SMILES
Nc1ccc(OCc2cccs2)cc1- InChIKey
LMGDKAKXCLDPAU-UHFFFAOYSA-N- Molecular formula
- C11H11NOS
- Average molar mass
- 205.28 g/mol
- Monoisotopic mass
- 205.05613497
Names & identifiers
- Preferred name
- 4-(2-Thienylmethoxy)aniline
- IUPAC
- 4-(thiophen-2-ylmethoxy)aniline
- English name
- CHEMBRDG-BB 4010406
- Molecular formula
- C11H11NOS
- Molecular weight
- 205.28
Names & synonyms
179246-28-74-(2-THIENYLMETHOXY)ANILINE4-(Thiophen-2-ylmethoxy)anilineBenzenamine, 4-(2-thienylmethoxy)-MFCD086914764-[(Thiophen-2-yl)methoxy]aniline4-(2-thienylmethoxy)-anilineSCHEMBL7890449DTXSID70622516LMGDKAKXCLDPAU-UHFFFAOYSA-NAKOS000165032DB-183867
Show more names
OTAVA-BB 7020618938CHEMBRDG-BB 4010406UKRORGSYN-BB BBV-0563974-(thien-2-ylmethoxy)aniline4-(2-thienylmethoxy)aniline(SALTDATA: FREE)
EN300-40023F308844
Database identifiers
- CAS
179246-28-7- PubChem CID
- 22112882
- DTXSID
DTXSID70622516
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 363.5 · 363.5±22.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- pka
- 5.01 · 5.01±0.10(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26-39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22-41
- hazard_code
- Xn
- safety_code
- 26-39
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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