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Home › Product Catalog › 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one

1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one

CAS 4791-40-6C15H24N4OS2MW 340.5

1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one (CAS 4791-40-6) — formula C15H24N4OS2, molecular weight 340.5; category organic chemicals.

Product Description

1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one (CAS 4791-40-6) is a chemical raw material in the organic chemicals category. Its molecular formula C15H24N4OS2 comprises 15 C, 24 H, 4 N, 1 O, 2 S atoms. Its molecular weight is about 340.5. Reported physicochemical data: LogP about 4.5. 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.

Product Overview

CAS Number4791-40-6
Molecular FormulaC15H24N4OS2
Molecular Weight340.5
LogP4.5
CategoryOrganic Chemicals

Technical Profile

What this product is

1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one is a carbon-based organic compound with CAS registry number 4791-40-6 and molecular formula C15H24N4OS2 (molecular weight 340.5), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 4791-40-6

Its molecular formula C15H24N4OS2 comprises 15 C, 24 H, 4 N, 1 O, 2 S atoms.

Also known as: 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one · 1,3,6,7-四氢-1,3-二甲基-8-(辛硫基)-6-硫代-2H-嘌呤-2-酮

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one?

The CAS registry number of 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one is 4791-40-6.

What is the molecular formula and molecular weight of 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one?

Molecular formula C15H24N4OS2, molecular weight 340.5.

What other names is 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one known by?

It is also registered under: 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one, 1,3,6,7-四氢-1,3-二甲基-8-(辛硫基)-6-硫代-2H-嘌呤-2-酮.

Which category does 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one belong to?

Category: Organic Chemicals.

Packaging & documentation

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.

PubChem Public Data

Independent reference data for 1,3,6,7-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one (CAS 4791-40-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Number4791-40-6
PubChem CID3034538
Molecular FormulaC15H24N4OS2
IUPAC Name1,3-dimethyl-8-octylsulfanyl-6-sulfanylidene-7H-purin-2-one
UNII (FDA)1KT1N7E3ND

Computed descriptors

Molecular Weight340.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass340.13915375
Monoisotopic Mass340.13915375
Topological Polar Surface Area110
Heavy Atom Count22

Synonyms and trade names

Theophylline, 8-octylthio-6-thio-; 4791-40-6; 1KT1N7E3ND; NSC-95912; DTXSID80197346; 8-OCTYLTHIO-6-THIOTHEOPHYLLINE; 1,3,6,9-Tetrahydro-1,3-dimethyl-8-(octylthio)-6-thioxo-2H-purin-2-one; RefChem:1074766; DTXCID90119837; 6-Thio-8-(N-octylthio)theophylline; Theophylline, (8-octylthio)-6-thio-; Theophylline, 8-(octylthio)-6-thio-; 6-Thio-8-n-octylthiotheophylline; NSC 95912; BRN 1147670; Uric acid, 1,3-dimethyl-8-octylthio-6-thio-

Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

中文页面: 1,3,6,7-四氢-1,3-二甲基-8-(辛硫基)-6-硫代-2H-嘌呤-2-酮

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