WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 531239

CAS#: 13182-58-6

Description: 6-Thiocaffeine is a bioactive chemical.

Chemical Structure

CAS# 13182-58-6

Theoretical Analysis

MedKoo Cat#: 531239
Name: 6-Thiocaffeine
CAS#: 13182-58-6
Chemical Formula: C8H10N4OS
Exact Mass: 210.0575
Molecular Weight: 210.255
Elemental Analysis: C, 45.70; H, 4.79; N, 26.65; O, 7.61; S, 15.25

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: 6-Thiocaffeine

IUPAC/Chemical Name: 2H-Purin-2-one, 1,3,6,7-tetrahydro-1,3,7-trimethyl-6-thioxo-


InChi Code: InChI=1S/C8H10N4OS/c1-10-4-9-6-5(10)7(14)12(3)8(13)11(6)2/h4H,1-3H3

SMILES Code: O=C(N1C)N(C)C2=C(N(C)C=N2)C1=S

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 210.255 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

Molarity Calculator

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Dilution Calculator

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1: Ragazzi E, Froldi G, Santi Soncin E, Borea PA, Fassina G. Pharmacological effects and binding studies of new methylxanthine thioderivatives. Pharmacol Res. 1989 Nov-Dec;21(6):707-17. PubMed PMID: 2560547.

2: Ragazzi E, Froldi G, Santi Soncin E, Fassina G. New methylxanthine thio-derivatives inducing marked tracheal relaxation without increasing cardiac inotropism or motor activity. Pharmacol Res Commun. 1988 Jul;20(7):621-2. PubMed PMID: 3174797.

3: Fassina G, Gaion RM, Caparrotta L, Carpenedo F. A caffeine analogue (1,3,7-trimethyl-6-thioxo-2-oxopurine) with a negative inotropic and chronotropic effect. Naunyn Schmiedebergs Arch Pharmacol. 1985 Sep;330(3):222-6. PubMed PMID: 2997629.

4: Scotini E, Carpenedo F, Fassina G. New derivatives of methyl-xanthines: effect of thiocaffeine thiotheophylline and 8-phenyltheophylline on lipolysis and on phosphodiesterase activities. Pharmacol Res Commun. 1983 Feb;15(2):131-43. PubMed PMID: 6844374.