6-AZA-2-THIOTHYMINE

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Names

[ CAS No. ]:
615-76-9

[ Name ]:
6-AZA-2-THIOTHYMINE

[Synonym ]:
EINECS 210-445-4
6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
MFCD00006458

Chemical & Physical Properties

[ Density]:
1.63g/cm3

[ Boiling Point ]:
356.4ºC at 760 mmHg

[ Melting Point ]:
218-221 °C(lit.)

[ Molecular Formula ]:
C4H5N3OS

[ Molecular Weight ]:
143.16700

[ Flash Point ]:
169.4ºC

[ Exact Mass ]:
143.01500

[ PSA ]:
93.63000

[ LogP ]:
0.13590

[ Index of Refraction ]:
1.749

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ2853000
CHEMICAL NAME :
as-Triazin-5-ol, 3-mercapto-6-methyl-
CAS REGISTRY NUMBER :
615-76-9
LAST UPDATED :
199206
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C4-H5-N3-O-S
MOLECULAR WEIGHT :
143.18
WISWESSER LINE NOTATION :
T6NN DNJ CSH EQ F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 95,123,1953

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
20/21/22-11

[ Safety Phrases ]:
S36/37/39-S26-S22-S16

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
XZ2853000

[ HS Code ]:
2933699090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Propanoic acid,2-[2-(aminothioxomethyl)hydrazinylidene]-
  • Ethylpyruvate
  • Thiosemicarbazide
  • 4-AMINO-3-MERCAPTO-6-METHYL-4H-[1,2,4]TRIAZIN-5-ONE
  • Methyl pyruvate
  • isopropyl 2-oxopropanoate
  • 6-methyl-3-prop-2-ynylsulfanyl-2H-1,2,4-triazin-5-one
  • methyl 2-(carbamothioylhydrazinylidene)propanoate
  • Propanoic acid,2-[2-(aminothioxomethyl)hydrazinylidene]-, ethyl ester

DownStream

  • 6-Azathymine
  • (6-methyl-5-oxo-4,5-dihydro-[1,2,4]triazin-3-ylsulfanyl)-acetic acid
  • 6-methyl-3-prop-2-ynylsulfanyl-2H-1,2,4-triazin-5-one
  • 3-but-3-ynylsulfanyl-6-methyl-2H-1,2,4-triazin-5-one

Customs

[ HS Code ]: 2933699090

[ Summary ]:
2933699090 other compounds containing an unfused triazine ring (whether or not hydrogenated) in the structure。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%

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Related Compounds

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  • 7-Phenyl-6-aza-2,4,6-heptatrienal
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