Pentamethylenetetramine sulfone

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Names

[ CAS No. ]:
7020-51-1

[ Name ]:
Pentamethylenetetramine sulfone

[Synonym ]:
2-Thia-1,3,5,7-tetrazaadamantane,2,2-dioxide
2-Thia-1,3,5,7-tetrazatricyclo(3.3.1.1(sup 3,7))decane,2,2-dioxide
Pentamethylenetetramine sulfone
2-Thia-1,3,5,7-tetraaza-adamantan-2,2-dioxid

Chemical & Physical Properties

[ Density]:
1.86g/cm3

[ Boiling Point ]:
343.6ºC at 760 mmHg

[ Molecular Formula ]:
C5H10N4O2S

[ Molecular Weight ]:
190.22300

[ Flash Point ]:
161.6ºC

[ Exact Mass ]:
190.05200

[ PSA ]:
55.48000

[ Index of Refraction ]:
1.797

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XI9671000
CHEMICAL NAME :
2-Thia-1,3,5,7-tetrazatricyclo(3.3.1.1(sup 3,7))decane, 2,2-dioxide
CAS REGISTRY NUMBER :
7020-51-1
BEILSTEIN REFERENCE NO. :
0012323
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H10-N4-O2-S
MOLECULAR WEIGHT :
190.25

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 :
>250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CRTOEC Chemical Research in Toxicology. (American Chemical Soc., Distribution Office Dept. 223, POB 57/36, West End Station, Washington, DC 20037) V.1- 1988- Volume(issue)/page/year: 4,162,1991

Synthetic Route

Precursor & DownStream

Precursor

  • Formaldehyde
  • methylamine

DownStream

  • Cyclotrimethylenetrinitramine
  • tetramine

Related Compounds

  • Modafinil Sulfone
  • DODECYL SULFONE
  • DIETHYL SULFONE
  • Lansoprazole Sulfone
  • Ilaprazole sulfone
  • Nelfinavir Sulfone
  • 2,2,2-trifluoroethyl N-(5-phenyl-1,3-thiazol-2-yl)carbamate
  • n-(4-Fluoro-2-methylbenzyl)-2-(1h-pyrazol-1-yl)ethan-1-amine
  • N-[(3-chlorophenyl)(cyano)methyl]-1-methyl-1H-pyrrole-2-carboxamide
  • 3,6-dichloro-N-[(3-methylpyridin-2-yl)methyl]pyridine-2-carboxamide
  • 1-[2-(4-Fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-ol
  • 2-N-benzyl-1,3-benzothiazole-2,6-diamine
  • 4-[Ethyl(methylsulfonyl)amino]-N-[3-(4-methyl-1-piperazinyl)propyl]benzamide
  • 4-(2-Aminophenyl)piperazine-1-carbaldehyde
  • 2-(3-Bromophenyl)propanamide
  • 1-Methanesulfonyl-2-morpholino-4-nitrobenzene
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