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| CAS No.: | 42302-17-0 |
|---|---|
| Name: | 3-(Dimethylamino)-1-propanethiol |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C5H13NS |
| Molecular Weight: | 119.231 |
| Synonyms: | N,N-dimethyl-3-aminopropanethiol;3-dimethyl-aminopropanethiol;N,N-dimethyl-3-mercaptopropylamine;3-N,N-dimethylaminopropanthiol; |
| Density: | 0.9 g/cm3 |
| Boiling Point: | 147.9 °C at 760 mmHg |
| Flash Point: | 43.2 °C |
| PSA: | 42.04000 |
| LogP: | 0.86790 |
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- Total:35 Page 1 of 1 1
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Specification
The cas register number of 3-(Dimethylamino)-1-propanethiol is 42302-17-0. The Systematic name about this chemical is 3-(dimethylamino)propane-1-thiol.
Physical properties about 3-(Dimethylamino)-1-propanethiol are: (1)ACD/LogP: 1.02; (2)ACD/LogD (pH 5.5): -1.93; (3)ACD/LogD (pH 7.4): -0.57; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.22; (8)#H bond acceptors: 1 ; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 28.54Å2; (11)Index of Refraction: 1.468; (12)Molar Refractivity: 36.83 cm3; (13)Molar Volume: 132.3 cm3; (14)Polarizability: 14.6x10-24cm3; (15)Surface Tension: 29.5 dyne/cm; (16)Enthalpy of Vaporization: 38.48 kJ/mol; (17)Vapour Pressure: 4.33 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H13NS/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3
(2)InChIKey: HSAYSFNFCZEPCN-UHFFFAOYAS
(3)Std. InChI: InChI=1S/C5H13NS/c1-6(2)4-3-5-7/h7H,3-5H2,1-2H3
(4)Std. InChIKey: HSAYSFNFCZEPCN-UHFFFAOYSA-N