Basic Information | Post buying leads | Suppliers | Cas Database |
1-dodecylthiol
sodium dodecanethiolate
Conditions | Yield |
---|---|
With sodium hydride In diethyl ether | |
With sodium hydride In N,N-dimethyl-formamide at 5 - 25℃; for 1h; Inert atmosphere; Schlenk technique; | |
With sodium hydride In diethyl ether; mineral oil at 5℃; for 0.166667h; |
Conditions | Yield |
---|---|
In methanol at 20℃; for 0.25h; |
Conditions | Yield |
---|---|
In various solvent(s) at 180℃; for 20h; | 96% |
In various solvent(s) at 180℃; for 20h; Product distribution; Mechanism; var. temp.; var. solvents; other subst. chlorobenzenes; other thiolates; |
Conditions | Yield |
---|---|
In various solvent(s) at 169℃; for 23h; | 95% |
Conditions | Yield |
---|---|
In various solvent(s) at 128℃; for 24h; | 95% |
In N,N,N,N,N,N-hexamethylphosphoric triamide Yield given; |
sodium dodecanethiolate
1-nitro-1,2-diphenyl-2-phenylthioethene
Conditions | Yield |
---|---|
In methanol at 20℃; for 1.25h; | 91% |
carbon monoxide
4-iodo-biphenyl
sodium dodecanethiolate
S-dodecyl biphenyl-4-carbothioate
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride; 1-dodecylthiol In tetrahydrofuran at 60℃; under 7600.51 Torr; for 24h; Autoclave; | 90% |
carbon monoxide
para-iodoanisole
sodium dodecanethiolate
S-(n-dodecyl) 4-methoxybenzothioate
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride; 1-dodecylthiol In tetrahydrofuran at 60℃; under 7600.51 Torr; for 24h; Autoclave; | 88% |
1,2,4,5-tetrachlorobenzene
sodium dodecanethiolate
Conditions | Yield |
---|---|
In various solvent(s) at 162℃; for 22h; | 86% |
sodium dodecanethiolate
2,3-dibromopropionic acid ethyl ester
Conditions | Yield |
---|---|
In ethanol at 70℃; for 4h; Substitution; | 82% |
The 1-Dodecanethiol, sodiumsalt (1:1), with the CAS registry number 26960-77-0, is also known as Sodium 1-dodecanethiolate. Its EINECS number is 248-141-9. This chemical's molecular formula is C12H25NaS and molecular weight is 224.38. What's more, its systematic name is sodium dodecane-1-thiolate.
Physical properties of 1-Dodecanethiol, sodiumsalt (1:1) are: (1)ACD/LogP: 6.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.56; (4)ACD/LogD (pH 7.4): 6.56; (5)ACD/BCF (pH 5.5): 57110.85; (6)ACD/BCF (pH 7.4): 57072.86; (7)ACD/KOC (pH 5.5): 88397.45; (8)ACD/KOC (pH 7.4): 88338.66 ; (9)#Freely Rotating Bonds: 11; (10)Polar Surface Area: 38.8 Å2; (11)Flash Point: 87.8 °C; (12)Enthalpy of Vaporization: 49.31 kJ/mol; (13)Boiling Point: 275.3 °C at 760 mmHg; (14)Vapour Pressure: 0.00861 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC[S-].[Na+]
(2)InChI: InChI=1S/C12H26S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h13H,2-12H2,1H3;/q;+1/p-1
(3)InChIKey: XRZRPHKMCVBSLA-UHFFFAOYSA-M