6-amino-7-methyl-1H-purine-2-thione

Modify Date: 2025-09-27 22:47:13

6-amino-7-methyl-1H-purine-2-thione Structure
6-amino-7-methyl-1H-purine-2-thione structure
Common Name 6-amino-7-methyl-1H-purine-2-thione
CAS Number 104802-77-9 Molecular Weight 181.21800
Density 1.78g/cm3 Boiling Point 271.6ºC at 760mmHg
Molecular Formula C6H7N5S Melting Point N/A
MSDS N/A Flash Point 118.1ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 6-amino-7-methyl-1H-purine-2-thione
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.78g/cm3
Boiling Point 271.6ºC at 760mmHg
Molecular Formula C6H7N5S
Molecular Weight 181.21800
Flash Point 118.1ºC
Exact Mass 181.04200
PSA 108.42000
LogP 0.81540
Vapour Pressure 0.00637mmHg at 25°C
Index of Refraction 1.9
InChIKey PHARJWGRHPDCIU-UHFFFAOYSA-N
SMILES Cn1cnc2nc(=S)[nH]c(N)c21

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UP0762100
CHEMICAL NAME :
2H-Purine-2-thione, 1,7-dihydro-6-amino-7-methyl-
CAS REGISTRY NUMBER :
104802-77-9
LAST UPDATED :
198906
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H7-N5-S
MOLECULAR WEIGHT :
181.24

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
590 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 20,493,1986

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

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6-amino-7-methyl-1H-purine-2-thione Structure

6-amino-7-methy...

CAS#:104802-77-9

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Literature: Muravich-Aleksandr, Kh. L.; Pernikoza, V. G.; Ragozina, T. N. Journal of Organic Chemistry USSR (English Translation), 1987 , vol. 23, # 4 p. 767 - 775 Zhurnal Organicheskoi Khimii, 1987 , vol. 23, # 4 p. 848 - 858

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

2H-Purine-2-thione,1,7-dihydro-6-amino-7-methyl
2-thio-6-amino-7-methylpurine
2-Thio-7-methyladenine
1,7-Dihydro-6-amino-7-methyl-2H-purine-2-thione

 6-amino-7-methyl-1H-purine-2-thione | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the CAS number of 6-amino-7-methyl-1H-purine-2-thione?
A: CAS number of 6-amino-7-methyl-1H-purine-2-thione is 104802-77-9.
Q: What is the SMILES notation of 6-amino-7-methyl-1H-purine-2-thione?
A: SMILES notation of 6-amino-7-methyl-1H-purine-2-thione is Cn1cnc2nc(=S)[nH]c(N)c21.
Q: What is the LogP of 6-amino-7-methyl-1H-purine-2-thione?
A: LogP of 6-amino-7-methyl-1H-purine-2-thione is 0.81540.
Q: What is the polar surface area (PSA) of 6-amino-7-methyl-1H-purine-2-thione?
A: Polar surface area (PSA) of 6-amino-7-methyl-1H-purine-2-thione is 108.42000.
Q: What is the molecular weight of 6-amino-7-methyl-1H-purine-2-thione?
A: Molecular weight of 6-amino-7-methyl-1H-purine-2-thione is 181.21800.
Q: What is the boiling point of 6-amino-7-methyl-1H-purine-2-thione?
A: Boiling point of 6-amino-7-methyl-1H-purine-2-thione is 271.6ºC at 760mmHg.
Q: What English synonyms does 6-amino-7-methyl-1H-purine-2-thione have?
A: English synonyms of 6-amino-7-methyl-1H-purine-2-thione: 2H-Purine-2-thione,1,7-dihydro-6-amino-7-methyl, 2-thio-6-amino-7-methylpurine, 2-Thio-7-methyladenine, 1,7-Dihydro-6-amino-7-methyl-2H-purine-2-thione.
Q: What is the English name of 6-amino-7-methyl-1H-purine-2-thione?
A: The English name of 6-amino-7-methyl-1H-purine-2-thione is 6-amino-7-methyl-1H-purine-2-thione.
Q: What is the Chinese name of 104802-77-9?
A: Chinese name of 104802-77-9 is 104802-77-9.
Q: What is the molecular formula of 6-amino-7-methyl-1H-purine-2-thione?
A: Molecular formula of 6-amino-7-methyl-1H-purine-2-thione is C6H7N5S.
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