5891-04-3

5891-04-3 structure

5891-04-3 structure

Name: 2-(hexylamino)ethanethiol
Chemical Name: 2-(hexylamino)ethanethiol
CAS Number: 5891-04-3
Molecular Formula: C₈H₁₉NS
Molecular Weight: 161.30800
Create Date: 2016-11-26 21:37:28
Modify Date: 2024-01-13 23:11:11

Name	2-(hexylamino)ethanethiol
Synonyms	2-Hexylaminoethanethiol 2-Cyclohexylamino-aethanthiol 2-n-Hexylaminoethanthiol <2-Mercapto-ethyl>-hexyl-amin 2-Hexylamino-ethylmercaptan 2-Hexylamino-aethanthiol Ethanethiol,2-hexylamino 2-Hexylamino-ethanthiol

Density	0.879g/cm3
Boiling Point	215ºC at 760 mmHg
Molecular Formula	C₈H₁₉NS
Molecular Weight	161.30800
Flash Point	83.8ºC
Exact Mass	161.12400
PSA	50.83000
LogP	2.47700
Index of Refraction	1.463

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KJ1681600

CHEMICAL NAME :: Ethanethiol, 2-hexylamino-

CAS REGISTRY NUMBER :: 5891-04-3

BEILSTEIN REFERENCE NO. :: 1734901

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H19-N-S

MOLECULAR WEIGHT :: 161.34

WISWESSER LINE NOTATION :: SH2M6

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 :: 75 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

HS Code	2930909090

420-12-2 structure

420-12-2

111-26-2 structure

111-26-2

~43%

5891-04-3 structure

5891-04-3

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

111-26-2 structure

111-26-2

5842-22-8 structure

5842-22-8

~%

5891-04-3 structure

5891-04-3

Literature: Reynolds,D.D. et al. Journal of Organic Chemistry, 1961 , vol. 26, p. 5119 - 5122

3326-89-4 structure

3326-89-4

111-26-2 structure

111-26-2

~%

5891-04-3 structure

5891-04-3

Literature: Reynolds,D.D. et al. Journal of Organic Chemistry, 1961 , vol. 26, p. 5109 - 5110

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%