Acetic acid, 2-(2-furanylthio)-, methyl ester
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Basic information
- CAS
16003-16-0- Standard SMILES
COC(=O)CSc1ccco1- InChIKey
PZXUQUVMTNDLBH-UHFFFAOYSA-N- Molecular formula
- C7H8O3S
- Average molar mass
- 172.2 g/mol
- Monoisotopic mass
- 172.01941529
Names & identifiers
- Preferred name
- Acetic acid, 2-(2-furanylthio)-, methyl ester
- IUPAC
- methyl 2-(furan-2-ylsulfanyl)acetate
- English name
- methyl (2-furylthio)acetate
- Molecular formula
- C7H8O3S
- Molecular weight
- 172.2
Names & synonyms
Acetic acid, (2-furanylthio)-, methyl ester16003-16-0Methyl (2-furylthio)acetateMethyl 2-(furylthio)acetateVL5FC4TFH5EINECS 240-137-5Acetic acid, 2-(2-furanylthio)-, methyl esterDTXSID4065991RefChem:552093DTXCID1035153240-137-5methyl 2-(furan-2-ylsulfanyl)acetate
Show more names
(2-Furanylthio)acetic acid methyl ester
UNII-VL5FC4TFH5PZXUQUVMTNDLBH-UHFFFAOYSA-NMethyl [(furan-2-yl)sulfanyl]acetateNS00053785
Database identifiers
- CAS
16003-16-0- PubChem CID
- 85234
- DTXSID
DTXSID4065991- UNII
- VL5FC4TFH5
- EC Number
- 240-137-5
- Nikkaji
- J219.933E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 231.7 · 231.7±20.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- LogP
- 1.34 · 1.340 (est)
- FDA UNII
- 5 FC4TFH5 · VL5FC4TFH5
- EPA Substance Registry System
- Acetic acid, (2-furanylthio)-, methyl ester (16003-16-0)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-(2-furanylthio)-, methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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