3-[[4-(2-carboxyethylsulfanylcarbothioylamino)piperazin-1-yl]thiocarbamoylsulfanyl]propanoic acid

Modify Date: 2025-09-21 06:02:40

3-[[4-(2-carboxyethylsulfanylcarbothioylamino)piperazin-1-yl]thiocarbamoylsulfanyl]propanoic acid structure	Common Name	3-[[4-(2-carboxyethylsulfanylcarbothioylamino)piperazin-1-yl]thiocarbamoylsulfanyl]propanoic acid
	CAS Number	81468-03-3	Molecular Weight	412.57200
	Density	1.56g/cm3	Boiling Point	633.6ºC at 760mmHg
	Molecular Formula	C₁₂H₂₀N₄O₄S₄	Melting Point	N/A
	MSDS	N/A	Flash Point	337ºC

Name	3-[[4-(2-carboxyethylsulfanylcarbothioylamino)piperazin-1-yl]carbamothioylsulfanyl]propanoic acid

Density	1.56g/cm3
Boiling Point	633.6ºC at 760mmHg
Molecular Formula	C₁₂H₂₀N₄O₄S₄
Molecular Weight	412.57200
Flash Point	337ºC
Exact Mass	412.03700
PSA	219.92000
LogP	1.25640
InChIKey	JVGGYIFBJYMGOS-UHFFFAOYSA-N
SMILES	O=C(O)CCSC(=S)NN1CCN(NC(=S)SCCC(=O)O)CC1

1,4-Piperazinediamine structure

1,4-Piperazined...

CAS#:106-59-2

Carbon disulphide structure

Carbon disulphide

CAS#:75-15-0

β-Propiolactone structure

β-Propiolactone

CAS#:57-57-8

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3-[[4-(2-carboxyethylsulfanylcarbothioylamino)piperazin-1-yl]thiocarbamoylsulfanyl]propanoic acid Structure

3-[[4-(2-carbox...

CAS#:81468-03-3

Literature: Hanefeld; Glaeske; Staude Archiv der Pharmazie, 1982 , vol. 315, # 2 p. 103 - 119

Precursor 3
CAS#:106-59-2 1,4-Piperazined... CAS#:75-15-0 Carbon disulphide CAS#:57-57-8 β-Propiolactone
DownStream 1
CAS#:81468-20-4 3-[4-(4-oxo-2-s...

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