1,1-Dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-carboxymethoxy-2,3,4,5-tetrahydro-1,5-benzothiazepine

Modify Date: 2025-09-01 09:56:48

1,1-Dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-carboxymethoxy-2,3,4,5-tetrahydro-1,5-benzothiazepine structure	Common Name	1,1-Dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-carboxymethoxy-2,3,4,5-tetrahydro-1,5-benzothiazepine
	CAS Number	439088-13-8	Molecular Weight	505.69000
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₆H₃₅NO₅S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	1,1-Dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-carboxymethoxy-2,3,4,5-tetrahydro-1,5-benzothiazepine

Molecular Formula	C₂₆H₃₅NO₅S₂
Molecular Weight	505.69000
Exact Mass	505.19600
PSA	117.59000
LogP	7.30990
InChIKey	HLVCNERLDVNLEF-UHFFFAOYSA-N
SMILES	CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)O)cc2S(=O)(=O)C1

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