4-(benzylsulfanylcarbothioylamino)butanoic acid

Modify Date: 2023-01-22 00:32:21

4-(benzylsulfanylcarbothioylamino)butanoic acid Structure
4-(benzylsulfanylcarbothioylamino)butanoic acid structure
 Common Name 4-(benzylsulfanylcarbothioylamino)butanoic acid
CAS Number 63884-89-9 Molecular Weight 269.38300
Density 1.278g/cm3 Boiling Point 454.1ºC at 760 mmHg
Molecular Formula C12H15NO2S2 Melting Point N/A
MSDS N/A Flash Point 228.4ºC

 Names

Name 4-(benzylsulfanylcarbothioylamino)butanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.278g/cm3
Boiling Point 454.1ºC at 760 mmHg
Molecular Formula C12H15NO2S2
Molecular Weight 269.38300
Flash Point 228.4ºC
Exact Mass 269.05400
PSA 113.76000
LogP 3.07040
Index of Refraction 1.628

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EZ1370000
CHEMICAL NAME :
Carbamic acid, (3-carboxypropyl)dithio-, benzyl ester
CAS REGISTRY NUMBER :
63884-89-9
BEILSTEIN REFERENCE NO. :
3339978
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H15-N-O2-S2
MOLECULAR WEIGHT :
269.40
WISWESSER LINE NOTATION :
QV3MYUS&S1R

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 :
100 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

 Synthetic Route

2-Pyrrolidinone structure

2-Pyrrolidinone

CAS#:616-45-5
Benzyl chloride structure

Benzyl chloride

CAS#:100-44-7

~%

4-(benzylsulfanylcarbothioylamino)butanoic acid Structure

4-(benzylsulfan...

CAS#:63884-89-9
Literature: McKay et al. Journal of the American Chemical Society, 1958 , vol. 80, p. 1510,1512,1515

 Synonyms

usaf pd-6
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Chemsrc provides CAS#:63884-89-9 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-(benzylsulfanylcarbothioylamino)butanoic acid>> amp version: 4-(benzylsulfanylcarbothioylamino)butanoic acid

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