S-[(4R,4aR,7R,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] ethanethioate

Modify Date: 2025-10-13 22:31:09

S-[(4R,4aR,7R,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] ethanethioate structure	Common Name	S-[(4R,4aR,7R,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] ethanethioate
	CAS Number	117152-64-4	Molecular Weight	343.44000
	Density	1.41g/cm3	Boiling Point	506.9ºC at 760mmHg
	Molecular Formula	C₁₉H₂₁NO₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	260.3ºC

Name	S-[(4R,4aR,7R,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] ethanethioate
Synonym	More Synonyms

Density	1.41g/cm3
Boiling Point	506.9ºC at 760mmHg
Molecular Formula	C₁₉H₂₁NO₃S
Molecular Weight	343.44000
Flash Point	260.3ºC
Exact Mass	343.12400
PSA	75.07000
LogP	2.42340
Vapour Pressure	6.77E-11mmHg at 25°C
Index of Refraction	1.697
InChIKey	IQAOQEHSVLTFRY-MKUCUKIISA-N
SMILES	CC(=O)SC1C=CC2C3Cc4ccc(O)c5c4C2(CCN3C)C1O5

Thioacetic acid

CAS#:507-09-5

D-(-)-Morphine

CAS#:57-27-2

~71%

N/A

CAS#:22222-94-2

S-[(4R,4aR,7R,7...

CAS#:117152-64-4

Literature: Fujii; Togame; Yamamoto; Kanematsu; Takayanagi; Konno Chemical and Pharmaceutical Bulletin, 1988 , vol. 36, # 6 p. 2282 - 2285

Precursor 2
CAS#:507-09-5 Thioacetic acid CAS#:57-27-2 D-(-)-Morphine
DownStream 0

6-Acetylthiomorphine

KT 88

Names