2-[(3E)-hepta-3,6-dienyl]-2-methyl-thiazolidine

Modify Date: 2025-09-12 22:06:25

2-[(3E)-hepta-3,6-dienyl]-2-methyl-thiazolidine structure	Common Name	2-[(3E)-hepta-3,6-dienyl]-2-methyl-thiazolidine
	CAS Number	75606-68-7	Molecular Weight	197.34000
	Density	0.933g/cm3	Boiling Point	287ºC at 760 mmHg
	Molecular Formula	C₁₁H₁₉NS	Melting Point	N/A
	MSDS	N/A	Flash Point	127.4ºC

Name	2-[(3E)-hepta-3,6-dienyl]-2-methyl-thiazolidine

Density	0.933g/cm3
Boiling Point	287ºC at 760 mmHg
Molecular Formula	C₁₁H₁₉NS
Molecular Weight	197.34000
Flash Point	127.4ºC
Exact Mass	197.12400
PSA	37.33000
LogP	3.28030
Index of Refraction	1.5
InChIKey	KRHJFKNMTRVNSR-AATRIKPKSA-N
SMILES	C=CCC=CCCC1(C)NCCS1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XJ5965000

CHEMICAL NAME :: Thiazolidine, 2-(3,6-heptadienyl)-2-methyl-, (E)-

CAS REGISTRY NUMBER :: 75606-68-7

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H19-N-S

MOLECULAR WEIGHT :: 197.37

WISWESSER LINE NOTATION :: T5M CSTJ B3U3U1 B1

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 :: 1500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 15,247,1980

(E)-nona-5,8-dien-2-one structure

(E)-nona-5,8-di...

CAS#:75606-71-2

2-Aminoethanethiol structure

2-Aminoethanethiol

CAS#:60-23-1

~76%

2-[(3E)-hepta-3,6-dienyl]-2-methyl-thiazolidine Structure

2-[(3E)-hepta-3...

CAS#:75606-68-7

Literature: Mesnard; Miginiac; Fatome; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 3 p. 247 - 252

Precursor 2
CAS#:75606-71-2 (E)-nona-5,8-di... CAS#:60-23-1 2-Aminoethanethiol
DownStream 0

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