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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Formaldehyde
  • methylamine

DownStream

  • Cyclotrimethylenetrinitramine
  • tetramine

Related Compounds

  • Modafinil Sulfone
  • DODECYL SULFONE
  • DIETHYL SULFONE
  • Lansoprazole Sulfone
  • Ilaprazole sulfone
  • Nelfinavir Sulfone
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • (1S,4S)-4-(1H-1,2,4-Triazol-1-yl)cyclohexanamine