Spl-334
Also known as 4-((2-((2-Cyanobenzyl)thio)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)methyl)benzoic acid, 4-((2-((2-cyanobenzyl)thio)-4-oxothieno(3,2-d)pyrimidin-3(4H)-yl)methyl)benzoic acid, SPL 334
Key facts
What buyers check first
- CAS number
- 688347-51-5
- Formula
- C22H15N3O3S2
- Molar mass
- 433.51 g/mol
- EC number
- 110-924-7
- HS code
- 293499
- Category
- Screening compounds
What is Spl-334?
Plain description, key identifiers and synonyms
Spl-334 is a chemical substance with the molecular formula C22H15N3O3S2 and a molar mass of 433.51 g/mol. Its CAS registry number is 688347-51-5. The IUPAC name is 4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid
- CAS number
- 688347-51-5
- EC number
- 110-924-7
- Molecular formula
- C22H15N3O3S2
- InChIKey
- UWWSCLNCHCROLL-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H15N3O3S2/c23-11-16-3-1-2-4-17(16)13-30-22-24-18-9-10-29-19(18)20(26)25(22)12-14-5-7-15(8-6-14)21(27)28/h1-10H,12-13H2,(H,27,28)
- SMILES (canonical and isomeric)
- C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)O)SC=C3)C#N
Synonyms
- 4-((2-((2-Cyanobenzyl)thio)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)methyl)benzoic acid
- 4-((2-((2-cyanobenzyl)thio)-4-oxothieno(3,2-d)pyrimidin-3(4H)-yl)methyl)benzoic acid
- SPL 334
- 4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid
- 4-[[2-[[(2-Cyanophenyl)methyl]thio]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl]benzoicacid
- SPL-334, >=98% (HPLC)
- 4-({2-[(2-cyanobenzyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}methyl)benzoic acid
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 | 433.51 g/molcalc.Computed value |
|---|---|
| Exact mass | 433.0555 Dacalc.Computed value |
| LogP (octanol/water) | 4.37calc.Computed value |
| Topological polar surface area | 95.98 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 6calc.Computed value |
| Heavy atoms | 30calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.09calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.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
Hazard statements
- H413May cause long lasting harmful effects to aquatic life.
Precautionary statements (2)
- P273Avoid release to the environment.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidSpl-334 suppliers
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Spl-334 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 Spl-334 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 Spl-334 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
Same formula isomers
Different compounds that share this molecular formula
![S-[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl] 10H-phenothiazine-10-carbothioate chemical structure, C22H15N3O3S2, CAS 384375-19-3](/s/HEMKJQZGSZRNBB-UHFFFAOYSA-N.svg)
![N-(3-(Benzo[d]thiazol-2-yl)thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide chemical structure, C22H15N3O3S2, CAS 923441-82-1](/s/PKWDIBAMYPBTCA-UHFFFAOYSA-N.svg)
![N-{4-[2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}-1-benzothiophene-2-carboxamide chemical structure, C22H15N3O3S2, CAS 866050-89-7](/s/SQPMBBXDZHJCGS-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Spl-334, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Spl-334
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- 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
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