Basic information
- CAS
175136-92-2- Standard SMILES
O=C(O)C1CC(=O)N(Cc2cccs2)C1- InChIKey
HNEDKCTVOYJYQI-UHFFFAOYSA-N- Molecular formula
- C10H11NO3S
- Average molar mass
- 225.27 g/mol
- Monoisotopic mass
- 225.04596439
Names & identifiers
- Preferred name
- 5-Oxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylic acid
- IUPAC
- 5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
- English name
- 5-Oxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylic acid
- Molecular formula
- C10H11NO3S
- Molecular weight
- 225.26
Names & synonyms
175136-92-25-Oxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylic acid5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acidMFCD000849275-oxo-1-[(thiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid3-Pyrrolidinecarboxylic acid, 5-oxo-1-(2-thienylmethyl)-5-Oxo-1-(thien-2-ylmethyl)pyrrolidine-3-carboxylic acidHNEDKCTVOYJYQI-UHFFFAOYSA-NSMR000036837Maybridge1_003341Oprea1_047153MLS000030408
Show more names
4-CARBOXY-1-(THEN-2-YL)PYRROLIDIN-2-ONE
SCHEMBL24493535-Oxo-1-(2-thienylmethyl)-3-pyrrolidinecarboxylic acidCHEMBL1520060HMS550P19DTXSID70346725HMS2443A14ALBB-032621CCG-48771
Database identifiers
- CAS
175136-92-2- PubChem CID
- 614397
- DTXSID
DTXSID70346725- ChEMBL
CHEMBL1520060
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 144 °C · 144 °C
- Boiling point
- 485.9 · 485.9±45.0 °C(Predicted)
- Density
- 1.441 · 1.441±0.06 g/cm3(Predicted)
- pka
- 4.47 · 4.47±0.20(Predicted)
- form
- Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2933790090 · 2933790090
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
- hs_code
- 2933790090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Suppliers11 total
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
ANHUI BYERSEN BIOTECH CO. LTD+8617355064950 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…