trans-Hydroxy sulfone
Also known as (4S,6S)-4H-Thieno[2,3-b]-thiopyran-4-ol-5,6-dihydro-6-methyl-7,7-dioxide, 4-Hydroxy-2-methyl-2H,3H,4H-1lambda6-thieno[2,3-b]thiopyran-1,1-dione, 6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
Key facts
What buyers check first
- CAS number
- 202007-84-9
- Formula
- C8H10O3S2
- Molar mass
- 218.30 g/mol
- HS code
- 293499
- Category
- Heterocyclic building blocks
What is trans-Hydroxy sulfone?
Plain description, key identifiers and synonyms
trans-Hydroxy sulfone is a chemical substance with the molecular formula C8H10O3S2 and a molar mass of 218.30 g/mol. Its CAS registry number is 202007-84-9. The IUPAC name is 6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
- CAS number
- 202007-84-9Other or deprecated CAS: 162490-45-1
- Molecular formula
- C8H10O3S2
- InChIKey
- NFUQUGUUAUVBMO-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H10O3S2/c1-5-4-7(9)6-2-3-12-8(6)13(5,10)11/h2-3,5,7,9H,4H2,1H3
- SMILES (canonical and isomeric)
- CC1CC(C2=C(S1(=O)=O)SC=C2)O
Synonyms
- (4S,6S)-4H-Thieno[2,3-b]-thiopyran-4-ol-5,6-dihydro-6-methyl-7,7-dioxide
- 4-Hydroxy-2-methyl-2H,3H,4H-1lambda6-thieno[2,3-b]thiopyran-1,1-dione
- 6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
- (4R,6R)-6-Methyl-5,6-dihydro-4H-thieno-[2,3-b]thiopyran-4-ol 7,7-dioxide
- 4-Hydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide
- 4-hydroxy-2-methyl-2h,3h,4h-1$l^{6},7-thieno[2,3-b][1$l^{6}]thiopyran-1,1-dione
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 218.30 g/molcalc.Computed value |
|---|---|
| Exact mass | 218.0071 Dacalc.Computed value |
| LogP (octanol/water) | 1.35calc.Computed value |
| Topological polar surface area | 54.37 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 13calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.5calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
trans-Hydroxy sulfone suppliers
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trans-Hydroxy sulfone price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code trans-Hydroxy sulfone is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for trans-Hydroxy sulfone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
![(4S,6R)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide chemical structure, C8H10O3S2, CAS 1197375-13-5](/s/NFUQUGUUAUVBMO-VDTYLAMSSA-N.svg)
![(4R,6R)-6-Methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol 7,7-dioxide chemical structure, C8H10O3S2, CAS 162490-45-1](/s/NFUQUGUUAUVBMO-IYSWYEEDSA-N.svg)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![(2S,4S)-4-Amino-2-methyl-2H,3H,4H-1lambda6-thieno[2,3-b]thiopyran-1,1-dione chemical structure, C8H11NO2S2, CAS 1778636-43-3](/s/XOSMBAIDAZWPRP-FSPLSTOPSA-N.svg)
![4-Amino-2-methyl-2H,3H,4H-1lambda6-thieno[2,3-b]thiopyran-1,1-dione chemical structure, C8H11NO2S2, CAS 1935990-80-9](/s/XOSMBAIDAZWPRP-UHFFFAOYSA-N.svg)
![N-((4R,6S)-6-Methyl-7,7-dioxido-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl)acetamide chemical structure, C10H13NO3S2, CAS 148810-83-7](/s/WJXLCNFSFHSWMJ-IMTBSYHQSA-N.svg)
![Acetamide, N-(5,6-dihydro-6-methyl-7,7-dioxido-4H-thieno[2,3-b]thiopyran-4-yl)-, (4S-trans)- chemical structure, C10H13NO3S2, CAS 147086-83-7](/s/WJXLCNFSFHSWMJ-RCOVLWMOSA-N.svg)
![(4R,6S)-6-Methyl-7,7-dioxido-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl acetate chemical structure, C10H12O4S2, CAS 148810-82-6](/s/HNZQWXDSKMCKBI-IMTBSYHQSA-N.svg)
![(4S,6S)-N-Ethyl-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine chemical structure, C10H15NO2S2, CAS 403848-01-1](/s/CSXRPEGBUGCAHV-CBAPKCEASA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![(6S)-4-Hydroxy-6-methyl-5,7a-dihydro-6H-thieno[2,3-b]thiopyran 7,7-dioxide chemical structure, C8H10O3S2, CAS 1933710-74-7](/s/UNQGZWLXWMOAKP-NTFOPCPOSA-N.svg)
Frequently asked questions
Quick answers about trans-Hydroxy sulfone, based on the data on this page
What is trans-Hydroxy sulfone?
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What is trans-Hydroxy sulfone used for?
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What is the HS code of trans-Hydroxy sulfone?
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Guides for buyers
Practical guides that help when you source, ship or handle trans-Hydroxy sulfone
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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