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Name |
Imidazole-2-thiol |
EINECS | N/A |
CAS No. | 872-35-5 | Density | 1.36g/cm3 |
PSA | 67.48000 | LogP | 0.69840 |
Solubility | N/A | Melting Point |
228-231 °C(lit.) |
Formula | C3H4 N2 S | Boiling Point | 152.4°C at 760 mmHg |
Molecular Weight | 100.144 | Flash Point | 46°C |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also MERCAPTANS. | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
2-Imidazolemercaptan(3CI); 4-Imidazoline-2-thione (7CI); Imidazole-2-thiol (6CI,8CI);1,3-Dihydro-2H-imidazole-2-thione; 1,3-Dihydroimidazole-2-thione;1,3-Vinylenethiourea; 1H-Imidazole-2-thiol; 2-Mercapto-1H-imidazole;2-Mercaptoimidazole; 2-Thioimidazole; 2-Thioxo-2,3-dihydroimidazole; NSC 112715 |
Article Data | 19 |
Conditions | Yield |
---|---|
With ammonium dihydrogen phosphate; ammonium chloride at 60℃; pH=4; Reagent/catalyst; | 7.8% |
2,2-dimethoxyethylamine
1,3-dihydro-imidazole-2-thione
Conditions | Yield |
---|---|
With hydrogenchloride |
Conditions | Yield |
---|---|
With Carbonate buffer at 25℃; Kinetics; |
1,3-dihydro-imidazole-2-thione
chloroacetic acid
(1H-imidazol-2-ylsulfanyl)-acetic acid
Conditions | Yield |
---|---|
Stage #1: 1,3-dihydro-imidazole-2-thione With base catalyst In ethanol at 50℃; for 1h; Stage #2: chloroacetic acid In ethanol at 80℃; for 2h; | 100% |
menadione
1,3-dihydro-imidazole-2-thione
2-(1H-imidazole-2-ylthio)-3-methylnaphthalene-1,4-dione
Conditions | Yield |
---|---|
In methanol at 20℃; for 8h; | 98% |
Conditions | Yield |
---|---|
In acetonitrile for 16h; Heating; | 95% |
1,3-dihydro-imidazole-2-thione
Conditions | Yield |
---|---|
With potassium carbonate In acetone Reflux; Inert atmosphere; | 95% |
1,2-Dichloro-3-nitrobenzene
1,3-dihydro-imidazole-2-thione
2-(2-chloro-6-nitrophenylthio)imidazole
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile for 6.5h; Heating / reflux; | 94% |
1,3-dihydro-imidazole-2-thione
N-isobutyl-2-<(2-imidazolylthio)methyl>aniline
Conditions | Yield |
---|---|
In ethanol; chloroform; water | 94% |
Conditions | Yield |
---|---|
at 50℃; for 0.5h; | 93% |
IUPAC: 1,3-Dihydroimidazole-2-thione
Imidazole-2-thiol with CAS NO.of 872-35-5 is also called for 2-Mercaptoimidazole ; 2-Imidazolethiol ; 1H-Imidazole-2-thiol ; Mercaptoimidazole ; 1,3-Vinylenethiourea ; 1H-Imidazolethiol ; Imidazole, 2-mercapto- ; 4-Imidazoline-2-thione ; USAF EL-57 and so on.
CAS: 872-35-5
Molecular Formula: C3H4N2S
Molecular Weight: 100.14
EINECS: 212-823-4
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 0.21
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 31.14
ACD/KOC (pH 7.4): 31.14
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 0
Heavy Atom Count: 6
Formal Charge: 0
Complexity: 87
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 0
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1
Index of Refraction: 1.696
Molar Refractivity: 28.21 cm3
Molar Volume: 73.3 cm3
Surface Tension: 68.9 dyne/cm
Density: 1.36 g/cm3
Flash Point: 46°C
Enthalpy of Vaporization: 38.92 kJ/mol
Boiling Point: 152.4°C at 760 mmHg
Vapour Pressure: 3.5 mmHg at 25°C
The molecular structure of Imidazole-2-thiol with CAS NO.of 872-35-5:
1. | ipr-mus LD50:200 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 . |
Reported in EPA TSCA Inventory.
Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also MERCAPTANS.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: NI8515000
F: 10
Removal in wastewater treatment of Imidazole-2-thiol (CAS NO.872-35-5):
Total removal:1.90 percent
Total biodegradation:0.09 percent
Total sludge adsorption:1.75 percent
Total to air:0.05 percent
(using 10000 hr Bio P,A,S)