Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 6-thiocaffeine
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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Contact: Ms Wang
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13182-58-6

13182-58-6 structure

13182-58-6 structure

Name: 6-thiocaffeine
Chemical Name: 1,3,7-trimethyl-6-sulfanylidenepurin-2-one
CAS Number: 13182-58-6
Molecular Formula: C₈H₁₀N₄OS
Molecular Weight: 210.25600
Create Date: 2016-04-12 06:54:28
Modify Date: 2025-09-25 19:40:06

Name	1,3,7-trimethyl-6-sulfanylidenepurin-2-one
Synonyms	1,3,7-trimethyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-one M &1,3,7-Trimethyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-on CAFFEINE,6-THIO 7-methyl-6-thioxanthine 2H-Purin-2-one,1,3,6,7-tetrahydro-1,3,7-trimethyl-6-thioxo B 6227 1,3,7-Trimethyl-2-oxo-6-thioxo-1,2,3,6-tetrahydro-7H-purin 6-Thiocaffeine

Density	1.45g/cm3
Boiling Point	416.6ºC at 760mmHg
Molecular Formula	C₈H₁₀N₄OS
Molecular Weight	210.25600
Flash Point	205.8ºC
Exact Mass	210.05800
PSA	76.84000
LogP	0.34000
Vapour Pressure	3.76E-07mmHg at 25°C
Index of Refraction	1.714

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EV6640100

CHEMICAL NAME :: Caffeine, 6-thio-

CAS REGISTRY NUMBER :: 13182-58-6

BEILSTEIN REFERENCE NO. :: 0205182

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H10-N4-O-S

MOLECULAR WEIGHT :: 210.28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 960 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 17,196,1961

Precursor 4
58-08-2 512-56-1 2398-70-1 2002-59-7
DownStream 0

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