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2-Iminothiolane hydrochloride

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Name

2-Iminothiolane hydrochloride

EINECS 800-330-2
CAS No. 4781-83-3 Density 1.27 g/cm3
PSA 49.15000 LogP 2.39240
Solubility Freely soluble in water Melting Point 198-201 °C(lit.)
Formula C4H7NS.HCl Boiling Point 188.5 °C at 760 mmHg
Molecular Weight 137.633 Flash Point 67.8 °C
Transport Information N/A Appearance White Crystalline Solid
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 4781-83-3 (2-IMINOTHIOLANE) Hazard Symbols N/A
Synonyms

2(3H)-Thiophenimine,dihydro-, hydrochloride (7CI,8CI,9CI);2-Iminothiolane hydrochloride;Traut'sreagent;

Article Data 1

2-Iminothiolane hydrochloride Synthetic route

4781-82-2

S-3-cyanopropyl thioacetate

4781-83-3

2-iminothiolane hydrochloride

Conditions
ConditionsYield
With chloro-trimethyl-silane In methanol at 65℃; for 18h; Inert atmosphere;45%
23214-92-8

doxorubicin

4781-83-3

2-iminothiolane hydrochloride

doxorubicin

Conditions
ConditionsYield
With triethylamine In methanol at 20℃; for 7h;70%
for 48h; Inert atmosphere; Darkness;
With triethylamine In methanol for 7h; pH=8.5;
7284-37-9

D-glucopyranosyl amine

1631-26-1

1-benzyl-1H-pyrrole-2,5-dione

4781-83-3

2-iminothiolane hydrochloride

4-(1-Benzyl-2,5-dioxo-pyrrolidin-3-ylsulfanyl)-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-butyramidine; hydrochloride

Conditions
ConditionsYield
In pyridine at 0℃; for 4.5h;69%
4781-83-3

2-iminothiolane hydrochloride

113231-05-3

N,N-bis(carboxymethyl)-L-lysine

1447926-92-2

C14H25N3O6S*ClH

Conditions
ConditionsYield
Stage #1: 2-iminothiolane hydrochloride; N,N-bis(carboxymethyl)-L-lysine With sodium hydrogencarbonate In water at 72℃; for 15h;
Stage #2: With hydrogenchloride In water pH=3;
64%
2127-03-9

2,2'-dipyridyldisulphide

4781-83-3

2-iminothiolane hydrochloride

123628-75-1

3β-cholest-5-en-3-yl N-(2-aminoethyl)carbamate

300711-57-3

cholest-5-en-3β-yl N-[2-[[1-imino-4-(2-pyridinyldithio)butyl]amino]ethyl] carbamate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃;62%

1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-[amino(polyethylene glycol)2000] ammonium salt

4781-83-3

2-iminothiolane hydrochloride

C136H270N3O54PS*ClH*H3N

Conditions
ConditionsYield
In methanol; chloroform at 20℃; for 2h;60%
4781-83-3

2-iminothiolane hydrochloride

62-31-7

dopamine hydrochloride

A

N-(3,4-dihydroxyphenethyl)-4-mercaptobutanimidamide

B

C16H25N3O2S2

Conditions
ConditionsYield
With sodium carbonate In water at 70℃; for 15h; pH=8 - 9; Inert atmosphere;A 56%
B n/a
6318-23-6

1-amino-1-deoxy-β-D-galactose

1631-26-1

1-benzyl-1H-pyrrole-2,5-dione

4781-83-3

2-iminothiolane hydrochloride

4-(1-Benzyl-2,5-dioxo-pyrrolidin-3-ylsulfanyl)-N-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-butyramidine; hydrochloride

Conditions
ConditionsYield
In pyridine at 0℃; for 4.5h;55%
124-22-1

n-Dodecylamine

4781-83-3

2-iminothiolane hydrochloride

N-dodecyl-4-mercaptobutanimidamide

Conditions
ConditionsYield
With triethylamine In methanol; acetonitrile at 20℃; for 4h;55%
4781-83-3

2-iminothiolane hydrochloride

2265-22-7

Dexamethasone 21-mesylate

155773-72-1

N,N,N',N'-tetrakis[2-(2-aminoethylaminocarbonyl)ethyl]ethylenediamine

C48H82FN11O8S

Conditions
ConditionsYield
In dimethyl sulfoxide at 20℃; for 16h;30%

2-Iminothiolane hydrochloride Specification

The 2-Iminothiolane hydrochloride is an organic compound with the formula C4H7NS.HCl. The IUPAC name of this chemical is thiolan-2-imine hydrochloride. With the CAS registry number 4781-83-3, it is also named as Dihydro-2(3H)-thiophenimine hydrochloride. The product's categories are MTS and Sulfhydryl Active Reagents; MTS & Sulfhydryl Active Reagents; Sulfur & Selenium Compounds. Besides, it is a white crystalline solid, which should be stored in a dark, dry place at temperature of 4 °C. When you are using it, do not breathe dust and avoid contact with skin and eyes.

Physical properties about 2-Iminothiolane hydrochloride are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 6; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)Polar Surface Area: 49.15 Å2; (8)Flash Point: 67.8 °C; (9)Enthalpy of Vaporization: 43.34 kJ/mol; (10)Boiling Point: 188.5 °C at 760 mmHg; (11)Vapour Pressure: 0.508 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N=C1CCCS1
(2)InChI: InChI=1/C4H7NS.ClH/c5-4-2-1-3-6-4;/h5H,1-3H2;1H
(3)InChIKey: ATGUDZODTABURZ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4H7NS.ClH/c5-4-2-1-3-6-4;/h5H,1-3H2;1H
(5)Std. InChIKey: ATGUDZODTABURZ-UHFFFAOYSA-N

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