Toluene-4-sulfonic acid tetrahydro-furan-3-ylmethyl ester
PubChem CID
15335290
Structure
Molecular Formula
Synonyms
- 15833-63-3
- Toluene-4-sulfonic acid tetrahydro-furan-3-ylmethyl ester
- (tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate
- oxolan-3-ylmethyl 4-methylbenzenesulfonate
- MFCD20483437
Molecular Weight
256.32 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2007-02-09
- Modify:2025-01-04
Chemical Structure Depiction
oxolan-3-ylmethyl 4-methylbenzenesulfonate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C12H16O4S/c1-10-2-4-12(5-3-10)17(13,14)16-9-11-6-7-15-8-11/h2-5,11H,6-9H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
BNBVZUYOFJWGNJ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
CC1=CC=C(C=C1)S(=O)(=O)OCC2CCOC2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H16O4S
Computed by PubChem 2.1 (PubChem release 2021.05.07)
- 15833-63-3
- Toluene-4-sulfonic acid tetrahydro-furan-3-ylmethyl ester
- (tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate
- oxolan-3-ylmethyl 4-methylbenzenesulfonate
- MFCD20483437
- (oxolan-3-yl)methyl 4-methylbenzene-1-sulfonate
- tetrahydrofuran-3-ylmethyl p-toluenesulfonate
- SCHEMBL2222219
- Toluene-4-sulfonicacidtetrahydro-furan-3-ylmethylester
- BNBVZUYOFJWGNJ-UHFFFAOYSA-N
- (tetrahydro-3-furanyl)methyl tosylate
- AKOS024438579
- (tetrahydro-3 -furanyl)methyl tosylate
- AS-37100
- SY319083
- DB-102404
- EN300-100503
- (3-Tetrahydrofuryl)methyl 4-Methylbenzenesulfonate
- Tetrahydrofuran-3-ylmethyl 4-methylbenzenesulfonate
- (tetrahydro-3-furanyl)methyl 4-methylbenzenesulfonate
- rac-tetrahydrofuran-3-ylmethyl 4-methylbenzenesulfonate
- Toluene-4-sulfonic acid tetrahydro-furan-3-ylmethyl ester, AldrichCPR
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
256.32 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
1.8
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
256.07693016 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
256.07693016 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
61Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
325
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.05.07)
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Same Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=BNBVZUYOFJWGNJ-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/3-Furanmethanol, tetrahydro-, 3-(4-methylbenzenesulfonate)https://commonchemistry.cas.org/detail?cas_rn=15833-63-3
- PubChem
- PATENTSCOPE (WIPO)SID 403741687https://pubchem.ncbi.nlm.nih.gov/substance/403741687
CONTENTS