63884-89-9

63884-89-9 structure

63884-89-9 structure

Name: 4-(benzylsulfanylcarbothioylamino)butanoic acid
Chemical Name: 4-(benzylsulfanylcarbothioylamino)butanoic acid
CAS Number: 63884-89-9
Molecular Formula: C₁₂H₁₅NO₂S₂
Molecular Weight: 269.38300
Create Date: 2016-09-08 11:51:57
Modify Date: 2023-01-22 00:32:21

Name	4-(benzylsulfanylcarbothioylamino)butanoic acid
Synonyms	usaf pd-6

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

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

616-45-5 structure

616-45-5

100-44-7 structure

100-44-7

~%

63884-89-9 structure

63884-89-9

Literature: McKay et al. Journal of the American Chemical Society, 1958 , vol. 80, p. 1510,1512,1515