1-Methyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetrazaindene

Modify Date: 2025-09-25 13:12:17

1-Methyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetrazaindene Structure
1-Methyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetrazaindene structure
Common Name 1-Methyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetrazaindene
CAS Number 5450-59-9 Molecular Weight 198.20200
Density 1.75g/cm3 Boiling Point 627.3ºC at 760 mmHg
Molecular Formula C6H6N4O2S Melting Point N/A
MSDS N/A Flash Point 333.2ºC

 Names

Name 3-methyl-2-sulfanylidene-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.75g/cm3
Boiling Point 627.3ºC at 760 mmHg
Molecular Formula C6H6N4O2S
Molecular Weight 198.20200
Flash Point 333.2ºC
Exact Mass 198.02100
PSA 118.53000
Index of Refraction 1.777
InChIKey DMAKXISAQGBPBI-UHFFFAOYSA-N
SMILES Cn1c(=S)[nH]c2c(=O)[nH][nH]c(=O)c21

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NJ5100000
CHEMICAL NAME :
1H-Imidazo(4,5-d)pyridazine-4,7-diol, 2-mercapto-1-methyl-
CAS REGISTRY NUMBER :
5450-59-9
BEILSTEIN REFERENCE NO. :
0209577
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H6-N4-O2-S

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 :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

 Safety Information

HS Code 2933990090

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

1-Methyl-2-thioxo-2,3,5,6-tetrahydro-1H-imidazo[4,5-d]pyridazin-4,7-dion
2-Mercapto-1-methyl-1H-imidazo(4,5-d)pyridazine-4,7-diol
1-methyl-2-thioxo-2,3,5,6-tetrahydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
1-Methyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetrazaindene
1H-Imidazo(4,5-d)pyridazine-4,7-diol,2-mercapto-1-methyl
The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.