Epigoitrin
Also known as (R)-Goitrin, D-Goitrin, (5R)-5-ethenyl-1,3-oxazolidine-2-thione
Key facts
What buyers check first
- CAS number
- 1072-93-1
- Formula
- C5H7NOS
- Molar mass
- 129.18 g/mol
- HS code
- 293499
- Category
- Mining and flotation reagents
What is Epigoitrin?
Plain description, key identifiers and synonyms
(R)-goitrin is a 5-ethenyl-1,3-oxazolidine-2-thione that has R-configuration. It is a constituent of a traditional Chinese herbal medicine, Radix isatidis. It has a role as an antiviral agent and a plant metabolite. It is an enantiomer of a (S)-goitrin.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (5R)-5-ethenyl-1,3-oxazolidine-2-thione
- CAS number
- 1072-93-1
- Molecular formula
- C5H7NOS
- UNII
- 2N815D740R
- MDL number
- MFCD01709801
- InChIKey
- UZQVYLOFLQICCT-SCSAIBSYSA-N
- InChI
- InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m1/s1
- Canonical SMILES
- C=CC1CNC(=S)O1
- Isomeric SMILES
- C=C[C@@H]1CNC(=S)O1
Synonyms
- (R)-Goitrin
- D-Goitrin
- (5R)-5-ethenyl-1,3-oxazolidine-2-thione
- 2-Oxazolidinethione, 5-vinyl-, (R)-
- (R)-5-Ethenyl-2-oxazolidinethione
- BA 51-090278
- 2-Oxazolidinethione, 5-ethenyl-, (R)-
- Goitrine
- (r)-5-vinyloxazolidine-2-thione
- 2-Oxazolidinethione, 5-ethenyl-, (5R)-
- r-goitrin
- (5R)-5-vinyloxazolidine-2-thione
- Epi-goitrin
- R-5-Vinyl-2-oxazolidinethione
- (r)-5-vinyl-2-oxazolidinethione
- (R)-5-Ethenyl-2-oxazolidinethione, (R)-5-Vinyl-2-oxazolidinethione,
- Goitrin, d-
- Epigoitrin (optically pure)
- Goitrin, (+)-
- (+)-5-Vinyl-2-oxazolidinethione
- (5r)-5-vinyl-1,3-oxazolidine-2-thione
- (5R)-5-vinyl-4,5-dihydrooxazole-2-thiol
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 | 129.18 g/molcalc.Computed value |
|---|---|
| Exact mass | 129.0248 Dacalc.Computed value |
| LogP (octanol/water) | 0.45calc.Computed value |
| Topological polar surface area | 21.26 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 8calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.4calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.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
S=C1NCCO1
1 ring, 6 atoms, the 2-Oxazolidinethione ring system.
39 other chemicals share this scaffoldSafety 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.
Epigoitrin suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United StatesUnclaimed profile(R)-GoitrinGrade, purity and minimum order on requestPrice on request
- China, TaizhouUnclaimed profileEpigoitrinGrade, purity and minimum order on requestPrice on request
- United States, RestonUnclaimed profileEpigoitrinGrade, purity and minimum order on requestPrice on request
- China, ChengduUnclaimed profileEpigoitrinGrade, purity and minimum order on requestPrice on request
- United States, RensselaerUnclaimed profileEpigoitrinGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileEpigoitrinGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileEpigoitrinGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
7 suppliers in 2 countries
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Epigoitrin 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
Roles
- antimicrobial agent
- antiviral agent
- eukaryotic metabolite
- metabolite
- plant metabolite
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 Epigoitrin 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 Epigoitrin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Epigoitrin, based on the data on this page
What is Epigoitrin?
What is the CAS number of Epigoitrin?
What is the molecular formula and weight of Epigoitrin?
What is Epigoitrin used for?
Is Epigoitrin hazardous?
What is the HS code of Epigoitrin?
Where can I buy Epigoitrin?
What is the price of Epigoitrin?
Guides for buyers
Practical guides that help when you source, ship or handle Epigoitrin
- 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 logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.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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