3-(2-thienyl)-L-serine
Basic information
- CAS
32595-59-8- Standard SMILES
NC(C(=O)O)C(O)c1cccs1- InChIKey
GNUCLSFLDHLOBV-UHFFFAOYSA-N- Molecular formula
- C7H9NO3S
- Average molar mass
- 187.22 g/mol
- Monoisotopic mass
- 187.03031432
Names & identifiers
- Preferred name
- 3-(2-thienyl)-L-serine
- IUPAC
- 2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid
- English name
- BETA-(2-THIENYL)-DL-SERINE
- Molecular formula
- C7H9NO3S
- Molecular weight
- 187.22
Names & synonyms
3-(2-Thienyl)-L-serinebeta-(2-Thienyl)serineEINECS 251-122-8NSC 762322-Thiophenepropanoic acid, alpha-amino-beta-hydroxy-RefChem:4913402-Thiophenepropanoic acid, alpha-amino-beta-hydroxy-(9CI)251-122-832595-59-82-Amino-3-hydroxy-3-(thiophen-2-yl)propanoic acidbeta-(2-THIENYL)-DL-SERINE2-Thiopheneserine
Show more names
DL-Ser(2-Thi)-OH2-B-THIENYLSERINEH-DL-SER(2-THI)-OHβ-(2-Thienyl)serineB-2-thienyl-dl-serinedl-β-(2-thienyl)serine
MFCD00067304H-DL-beta-(2-Thienyl)-DL-Ser-OH2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid(2RS,3RS)-2-Amino-3-hydroxy-3-(2-thienyl)-propionic acid2-Thiophenepropanoic acid, .alpha.-amino-.beta.-hydroxy-2-amino-3-hydroxy-3-(2-thienyl)propanoic acid3-thiophen-2-ylserineNSC76232
Database identifiers
- CAS
32595-59-8- PubChem CID
- 98096
- DTXSID
DTXSID40954316- ChEMBL
CHEMBL4105620- EC Number
- 251-122-8
- Nikkaji
- J209.342A
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 175 °C · 175 °C (decomp)
- Boiling point
- 426.577 · 426.577±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.496 · 1.496±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- pka
- 2.001 · 2.001±0.10(predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1/C7H9NO3S/c8-5(7(10)11)6(9)4-2-1-3-12-4/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6/s3
- InChIKey
- GNUCLSFLDHLOBV-XETGPIDONA-N
- SMILES
- C1(SC=CC=1)C(O)[C@H](N)C(=O)O |&1:7,r|
- CAS DataBase Reference
- 32595 · 32595-59-8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- hs_code
- 29349990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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