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Basic information
- CAS
79504-96-4- Standard SMILES
O=C(O)c1ccc(CSc2ccccc2)o1- InChIKey
VCYCOVZXZLKXFK-UHFFFAOYSA-N- Molecular formula
- C12H10O3S
- Average molar mass
- 234.276 g/mol
- Monoisotopic mass
- 234.03506518
Names & identifiers
- Preferred name
- 5-[(phenylthio)methyl]-2-furoic acid
- IUPAC
- 5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid
- English name
- 5-[(Phenylsulfanyl)methyl]-2-furoic acid
- Molecular formula
- C12H10O3S
- Molecular weight
- 234.27
Names & synonyms
AKOS MSC-0677OTAVA-BB 7020618384CHEMBRDG-BB 79937295-[(Phenylsulfanyl)methyl]-2-furoic acid5-[(Phenylthio)methyl]-2-furancarboxylic acid5-PHENYLSULFANYLMETHYL-FURAN-2-CARBOXYLIC ACID2-Furancarboxylic acid, 5-[(phenylthio)methyl]-5-[(phenylthio)methyl]-2-furoic acid(SALTDATA: FREE)
Database identifiers
- CAS
79504-96-4- PubChem CID
- 4642000
- DTXSID
DTXSID10405148- ChEMBL
CHEMBL4129403- EC Number
- 965-483-0
Properties
Physicochemical properties
- Boiling point
- 416.4 · 416.4±40.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 3.14 · 3.14±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hangzhou Huarong Pharm Co., Ltd.571-86758373 +8613588754946 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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