2-(Thiophen-2-ylmethyl)propanedioic acid
Basic information
- CAS
4475-24-5- Standard SMILES
O=C(O)C(Cc1cccs1)C(=O)O- InChIKey
PGGOEUVKDHKGKQ-UHFFFAOYSA-N- Molecular formula
- C8H8O4S
- Average molar mass
- 200.21 g/mol
- Monoisotopic mass
- 200.01432991
Names & identifiers
- Preferred name
- 2-(Thiophen-2-ylmethyl)propanedioic acid
- IUPAC
- 2-(thiophen-2-ylmethyl)propanedioic acid
- English name
- Eprosartan related coMpound C
- Molecular formula
- C8H8O4S
- Molecular weight
- 200.21
Names & synonyms
4475-24-52-(thiophen-2-ylmethyl)propanedioic acid2-(Thiophen-2-ylmethyl)malonic acid2-[(thiophen-2-yl)methyl]propanedioic acidNSC392092-(2-thienylmethyl)malonic acidNSC-39209Eprosartan USP RC CEprosartan USP Rc CNCIStruc1_000129NCIStruc2_000283SCHEMBL1766985
Show more names
Eprosartan related coMpound CEprosartan USP Related Compound C2-[(Thiophen-2-yl)methyl]malonic acidPropanedioic acid, 2-(2-thienylmethyl)-Eprosartan Impurity 3(Eprosartan USP RC C)Eprosartan Related Compound C: 2-[(thiophene-2-yl)methyl]malonic acidEprosartan Related Compound C (25 mg) (2-(thiophen-2-ylmethyl)malonic acid)Eprosartan Related Compound C (2-(thiophen-2-ylmethyl)malonic acid) (1238240)
CHEMBL1334277DTXSID70963274PGGOEUVKDHKGKQ-UHFFFAOYSA-NEAA47524NCI39209CCG-36561EBC-54183NCGC00013456
Database identifiers
- CAS
4475-24-5- PubChem CID
- 236591
- DTXSID
DTXSID70963274- ChEMBL
CHEMBL1334277- EC Number
- 119-315-0
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 140 ℃ · 140℃ (benzene )
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2934990002 · 2934990002
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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%)
Safety data
- hs_code
- 2934990002
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
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