Pentamethylenetetramine sulfone

Modify Date: 2025-08-26 16:01:58

Pentamethylenetetramine sulfone Structure
Pentamethylenetetramine sulfone structure
 Common Name Pentamethylenetetramine sulfone
CAS Number 7020-51-1 Molecular Weight 190.22300
Density 1.86g/cm3 Boiling Point 343.6ºC at 760 mmHg
Molecular Formula C5H10N4O2S Melting Point N/A
MSDS N/A Flash Point 161.6ºC

 Names

Name 2-thia-1,3,5,7-tetraaza-adamantane-2,2-dioxide
Synonym More Synonyms

 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
InChIKey GIMJMQVYJORODJ-UHFFFAOYSA-N
SMILES O=S1(=O)N2CN3CN(C2)CN1C3

 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

Formaldehyde structure

Formaldehyde

CAS#:50-00-0

~%

Pentamethylenetetramine sulfone Structure

Pentamethylenet...

CAS#:7020-51-1

Literature: Farbw. Hoechst Patent: DE855566 , 1943 ; Full Text Show Details Paquin Angewandte Chemie, 1948 , vol. 60, p. 318 Chem.Abstr., 1949 , p. 2573
Formaldehyde structure

Formaldehyde

CAS#:50-00-0

methylamine structure

methylamine

CAS#:74-89-5

~%

Pentamethylenetetramine sulfone Structure

Pentamethylenet...

CAS#:7020-51-1

Literature: Paquin Angewandte Chemie, 1948 , vol. 60, p. 318 Chem.Abstr., 1949 , p. 2573

 Synonyms

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
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