(R)-Tetrahydro-2-furancarbothioic acid
Basic information
- CAS
153165-72-1- Standard SMILES
O=C(S)[C@H]1CCCO1- InChIKey
VXYYXBQTPJTYOB-SCSAIBSYSA-N- Molecular formula
- C5H8O2S
- Average molar mass
- 132.18 g/mol
- Monoisotopic mass
- 132.02450067
Names & identifiers
- Preferred name
- (R)-Tetrahydro-2-furancarbothioic acid
- IUPAC
- (2R)-oxolane-2-carbothioic S-acid
- English name
- (R)-Tetrahydro-2-furancarbothioic acid
- Molecular formula
- C5H8O2S
- Molecular weight
- 132.18
Names & synonyms
153165-72-1(R)-Tetrahydro-2-furancarbothioic acid(2R)-oxolane-2-carbothioic S-acidFaropenem Impurity 18(R)-Tetrahydrofuran-2-carbothioic S-acid(2R)-OXOLANE-2-CARBOTHIOIC O-ACID2-Furancarbothioic acid, tetrahydro-, (2R)-(2R)-Tetrahydro-2-furancarbothioic acid(R)-Tetrahydrofuran-2-carbothioic O-acid7K6LJV2M2MSCHEMBL6396574VXYYXBQTPJTYOB-SCSAIBSYSA-N
Show more names
Faropenen side chainFaropenem Impurity 38(2R)-Tetrahydro-2-furancarbothioic S-acid(R)-Tetrahydrofuran-2-thiocarboxylic acid(2R)-Tetrahydrofuran-2-carbothioic S-acid
AKOS015899805Tetrahydro-2-furancarbothioic acid, (R)-(2R)-tetrahydrofuran-2-thiocarboxylic acid2-Furancarbothioic acid tetrahydro-, (2R)-2-Furancarbothioic acid, tetrahydro-, (R)-R-(+)-Thio-terahydrofuran-2-carboxylic acid
Database identifiers
- CAS
153165-72-1- PubChem CID
- 9855481
- UNII
- 7K6LJV2M2M
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 212 · 212 ºC
- Density
- 1.217 · 1.217
- Flash point
- 120 · 120 ºC
- pka
- 3.26 · 3.26±0.20(Predicted)
- InChI
- InChI=1S/C5H8O2S/c6-5(8)4-2-1-3-7-4/h4H,1-3H2,(H,6,8)/t4-/m1/s1
- InChIKey
- VXYYXBQTPJTYOB-SCSAIBSYSA-N
- SMILES
- O1CCC[C@@H]1C(=S)O
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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