6-thiocaffeine (CAS 13182-58-6) — formula C8H10N4OS, molecular weight 210.26; category organic chemicals.
6-thiocaffeine (CAS 13182-58-6) is a chemical raw material in the organic chemicals category. Its molecular formula C8H10N4OS comprises 8 C, 10 H, 4 N, 1 O, 1 S atoms. Its molecular weight is about 210.26. Reported physicochemical data: LogP about 0.5. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 13182-58-6 |
|---|---|
| Molecular Formula | C8H10N4OS |
| Molecular Weight | 210.26 |
| LogP | 0.5 |
| Category | Organic Chemicals |
6-thiocaffeine is a carbon-based organic compound with CAS registry number 13182-58-6 and molecular formula C8H10N4OS (molecular weight 210.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13182-58-6
Its molecular formula C8H10N4OS comprises 8 C, 10 H, 4 N, 1 O, 1 S atoms.
Also known as: 6-thiocaffeine · 6-硫代咖啡因
Category: organic chemicals
The CAS registry number of 6-thiocaffeine is 13182-58-6.
Molecular formula C8H10N4OS, molecular weight 210.26.
It is also registered under: 6-thiocaffeine, 6-硫代咖啡因.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 6-thiocaffeine (CAS 13182-58-6), compiled from public chemistry databases.
| CAS Number | 13182-58-6 |
|---|---|
| PubChem CID | 25768 |
| Molecular Formula | C8H10N4OS |
| IUPAC Name | 1,3,7-trimethyl-6-sulfanylidenepurin-2-one |
| Molecular Weight | 210.26 |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 210.05753213 |
| Monoisotopic Mass | 210.05753213 |
| Topological Polar Surface Area | 73.5 |
| Heavy Atom Count | 14 |
6-Thiocaffeine; 13182-58-6; 1,3,7-trimethyl-6-thioxo-2-oxopurine; DTXSID70157217; 1,3,6,7-Tetrahydro-1,3,7-trimethyl-6-thioxo-2H-purin-2-one; RefChem:906833; DTXCID6079708; 1,3,7-trimethyl-6-sulfanylidenepurin-2-one; 2H-Purin-2-one, 1,3,6,7-tetrahydro-1,3,7-trimethyl-6-thioxo-; M & B 6227; CAFFEINE, 6-THIO-; BRN 0205182; orb1986682; SCHEMBL9257690; CHEMBL4591369; PYUDRFSIKNBDQS-UHFFFAOYSA-N
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 6-硫代咖啡因