2-(4,4,6-trimethyl-2-sulfanylidene-3H-pyrimidin-1-yl)naphthalene-1-sulfonic acid

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Names

[ Name ]:
2-(4,4,6-trimethyl-2-sulfanylidene-3H-pyrimidin-1-yl)naphthalene-1-sulfonic acid

[Synonym ]:
1-(1-Sulfo-2-naphthyl)-2-thio-4,4,6-trimethyl dihydropyrimidine
USAF K-2601
2(1H)-Pyrimidinethione,3,4-dihydro-1-(1-sulfo-2-naphthyl)-4,4,6-trimethyl

Chemical & Physical Properties

[ Density]:
1.45g/cm3

[ Molecular Formula ]:
C₁₇H₁₈N₂O₃S₂

[ Molecular Weight ]:
362.46600

[ Exact Mass ]:
362.07600

[ PSA ]:
117.15000

[ LogP ]:
4.45610

[ Index of Refraction ]:
1.729

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UW4375000

CHEMICAL NAME :: 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(1-sulfo-2-naphthyl)-4,4,6-trimethyl-

CAS REGISTRY NUMBER :: 6281-66-9

LAST UPDATED :: 199012

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H18-N2-O3-S2

MOLECULAR WEIGHT :: 362.49

WISWESSER LINE NOTATION :: T6MYN FHJ BUS C- CL66J BSWQ& D1 F1 F1

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 :: 200 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: AD277-689

Related Compounds

1-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-indole-6-sulfonic acid
{3-[(tert-butoxy)carbonyl]-4H,5H,7H-thieno[2,3-c]pyran-2-yl}carbamic acid
Benzyl 3-(hydroxymethyl)-1,1-dioxo-1lambda6-thiomorpholine-4-carboxylate
(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-[3-(prop-2-en-1-yl)phenyl]propanoic acid
benzyl N-[2-(hydroxymethyl)-7-oxaspiro[3.5]nonan-2-yl]carbamate
Benzyl 5-hydroxy-9-oxa-2-azaspiro[5.5]undecane-2-carboxylate
rac-benzyl (1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carboxylate
Benzyl 3-(hydroxymethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
benzyl N-{cyclopropyl[2-(hydroxymethyl)oxolan-2-yl]methyl}carbamate
rac-(9H-fluoren-9-yl)methyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate

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