Basic information
- CAS
52063-83-9- Standard SMILES
O=C(c1cccs1)N1CCNCC1- InChIKey
KUKGMDPEGDZCTL-UHFFFAOYSA-N- Molecular formula
- C9H12N2OS
- Average molar mass
- 196.27 g/mol
- Monoisotopic mass
- 196.067034
Names & identifiers
- Preferred name
- 1-(Thien-2-ylcarbonyl)piperazine
- IUPAC
- piperazin-1-yl(thiophen-2-yl)methanone
- English name
- 1-(Thien-2-ylcarbonyl)piperazine
- Molecular formula
- C9H12N2OS
- Molecular weight
- 196.27
Names & synonyms
52063-83-91-(thien-2-ylcarbonyl)piperazineDTXSID00355365RefChem:227160DTXCID703064251-(Thiophene-2-carbonyl)piperazinepiperazin-1-yl(thiophen-2-yl)methanone1-Piperazinyl(2-thienyl)methanone1-(2-thienylcarbonyl)piperazinePiperazin-1-yl-thiophen-2-yl-methanoneMFCD01807000piperazinyl 2-thienyl ketone
Show more names
AKOS B003994AKOS BC-0007ART-CHEM-BB B003994CHEMBRDG-BB 4103038TIMTEC-BB SBB0070051-(2-Thienylcarbonyl)piperazine HClMethanone, 1-piperazinyl-2-thienyl-
Piperazine-1-yl-thiophen-2-yl-methanoneOprea1_171059Oprea1_659088SCHEMBL844816SCHEMBL1904615SCHEMBL4676372KUKGMDPEGDZCTL-UHFFFAOYSA-Npiperazin-1-yl(2-thienyl)methanone
Database identifiers
- CAS
52063-83-9- PubChem CID
- 797562
- DTXSID
DTXSID00355365- Nikkaji
- J1.082.663B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 157 · 157-162 °C(Press: 0.1 Torr)
- Density
- 1.226 · 1.226±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Store at Room Tem.
- pka
- 8.355 · 8.355±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H227
- Precautionary statements
- 501 · P501-P270-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P403+P235
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H227
- Precautionary statements
- P501-P270-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P403+P235
Chemistry & industry
Suppliers8 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
Changzhou Exploring Chemical Co., Ltd15295164949 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
63 records
Compound notes
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