6-chloro-3-[(2,6-diaminopyrimidin-4-yl)amino]-1H-pyridine-2-thione

Modify Date: 2025-08-26 10:48:32

6-chloro-3-[(2,6-diaminopyrimidin-4-yl)amino]-1H-pyridine-2-thione Structure
6-chloro-3-[(2,6-diaminopyrimidin-4-yl)amino]-1H-pyridine-2-thione structure
Common Name 6-chloro-3-[(2,6-diaminopyrimidin-4-yl)amino]-1H-pyridine-2-thione
CAS Number 42362-28-7 Molecular Weight 268.72600
Density 1.63g/cm3 Boiling Point 521.3ºC at 760 mmHg
Molecular Formula C9H9ClN6S Melting Point N/A
MSDS N/A Flash Point 269.1ºC

 Names

Name 6-chloro-3-[(2,6-diaminopyrimidin-4-yl)amino]-1H-pyridine-2-thione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.63g/cm3
Boiling Point 521.3ºC at 760 mmHg
Molecular Formula C9H9ClN6S
Molecular Weight 268.72600
Flash Point 269.1ºC
Exact Mass 268.03000
PSA 137.73000
LogP 3.33100
Index of Refraction 1.785
InChIKey AGXZTJYNSINJPZ-UHFFFAOYSA-N
SMILES Nc1cc(Nc2ccc(Cl)[nH]c2=S)nc(N)n1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UT9614000
CHEMICAL NAME :
2(1H)-Pyridinethione, 6-chloro-3-((2,6-diamino-4-pyrimidinyl)amino)-
CAS REGISTRY NUMBER :
42362-28-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H9-Cl-N6-S
MOLECULAR WEIGHT :
268.75

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 :
>500 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Cardiac - change in rate Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 30,302,1982

 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

6-Chloro-3-((2,6-diamino-4-pyrimidinyl)amino)-2(1H)-pyridinethione
2,4-Diamino-6-(6-chlor-2<1H>-thion-3-pyridyl)pyrimidinylamin
2(1H)-Pyridinethione,6-chloro-3-[(2,6-diamino-4-pyrimidinyl)amino]
6-chloro-3-(2,6-diamino-pyrimidin-4-ylamino)-1H-pyridine-2-thione
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