6-thiocaffeine

Modify Date: 2024-01-09 19:04:25

6-thiocaffeine structure	Common Name	6-thiocaffeine
	CAS Number	13182-58-6	Molecular Weight	210.25600
	Density	1.45g/cm3	Boiling Point	416.6ºC at 760mmHg
	Molecular Formula	C₈H₁₀N₄OS	Melting Point	N/A
	MSDS	N/A	Flash Point	205.8ºC

Name	1,3,7-trimethyl-6-sulfanylidenepurin-2-one
Synonym	More Synonyms

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
CAS#:58-08-2 Caffeine CAS#:512-56-1 Trimethyl phosphate CAS#:2398-70-1 6-thiotheophylline CAS#:2002-59-7 6-Thioxo-6,9-di...
DownStream 0

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

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 6-thiocaffeine
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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