4-(benzylsulfanylcarbothioylamino)butanoic acid

Modify Date: 2025-12-05 07:49:36

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
InChIKey NFGAEXVHQUVGAM-UHFFFAOYSA-N
SMILES O=C(O)CCCNC(=S)SCc1ccccc1

 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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