Basic information
- CAS
19156-51-5- Standard SMILES
CCc1cc(C(=O)O)cs1- InChIKey
WGPALAIKGVKNGT-UHFFFAOYSA-N- Molecular formula
- C7H8O2S
- Average molar mass
- 156.2 g/mol
- Monoisotopic mass
- 156.02450067
Names & identifiers
- Preferred name
- 5-Ethylthiophene-3-carboxylic acid
- IUPAC
- 5-ethylthiophene-3-carboxylic acid
- English name
- 5-Ethyl-3-thiophenecarboxylic acid
- Molecular formula
- C7H8O2S
- Molecular weight
- 156.2
Names & synonyms
5-ethylthiophene-3-carboxylic acid19156-51-5DTXSID00393646RefChem:303034DTXCID903445063-Thiophenecarboxylic acid, 5-ethyl-MFCD034198495-ETHYL-3-THIOPHENECARBOXYLIC ACID5-Ethyl-thiophene-3-carboxylic acidCHEMBL4292062SCHEMBL130833SCHEMBL352306
Show more names
AKOS B007503AKOS MSC-0500CHEMBRDG-BB 3007503TIMTEC-BB SBB0103745-ethyl-3-thenoic acid5-ethyl-3-thiophenecarboxylic acid(SALTDATA: FREE)5-ethylthiophene-3-carboxylic acid(SALTDATA: FREE)
WGPALAIKGVKNGT-UHFFFAOYSA-NALBB-000922BBL015797BDBM50467713SBB010374STK301289AKOS000302010NCGC00324329-01
Database identifiers
- CAS
19156-51-5- PubChem CID
- 3561548
- DTXSID
DTXSID00393646- ChEMBL
CHEMBL4292062
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 58 · 58-59 °C
- Boiling point
- 286.1 · 286.1±28.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 4.28 · 4.28±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers14 total
安徽合诺生物科技有限公司0555-2761852
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安徽合诺生物科技有限公司18455579438
上海相辉医药科技有限公司13761987713 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Changzhou Exploring Chemical Co., Ltd15295164949 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
17 records
Compound notes
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