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| CAS No.: | 23847-08-7 |
|---|---|
| Name: | CAPROLACTAMDISULFIDE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C12H20N2O2S2 |
| Molecular Weight: | 288.435 |
| Synonyms: | CLD 80;N,N'-Dicaprolactam disulfide;N,N'-Dithiobis(hexahydro-2H-azepinone);N,N'-Dithiodicaprolactam;Rhenocure S;Rhenogran CLD 80; |
| EINECS: | 245-910-0 |
| Density: | 1.28 g/cm3 |
| Boiling Point: | 422.3 °C at 760 mmHg |
| Flash Point: | 209.2 °C |
| Solubility: | 1.4g/L at 25℃ |
| PSA: | 91.22000 |
| LogP: | 2.87880 |
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Specification
The CAS register number of 2H-Azepin-2-one,1,1'-dithiobis[hexahydro- is 23847-08-7. It also can be called as N,N'-Dithiodicaprolactam and the systematic name about this chemical is 1,1'-disulfanediyldiazepan-2-one. The molecular formula about this chemical is C12H20N2O2S2 and the molecular weight is 288.423.
Physical properties about 2H-Azepin-2-one,1,1'-dithiobis[hexahydro- are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 1.96; (4)ACD/BCF (pH 5.5): 18.21; (5)ACD/BCF (pH 7.4): 18.21; (6)ACD/KOC (pH 5.5): 277.77; (7)ACD/KOC (pH 7.4): 277.77; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 91.22 Å2; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 77.55 cm3; (13)Molar Volume: 224.4 cm3; (14)Polarizability: 30.74x10-24cm3; (15)Surface Tension: 57.9 dyne/cm; (16)Density: 1.28 g/cm3; (17)Flash Point: 209.2 °C; (18)Enthalpy of Vaporization: 67.64 kJ/mol; (19)Boiling Point: 422.3 °C at 760 mmHg; (20)Vapour Pressure: 2.45E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(SSN1C(=O)CCCCC1)CCCCC2
(2)InChI: InChI=1/C12H20N2O2S2/c15-11-7-3-1-5-9-13(11)17-18-14-10-6-2-4-8-12(14)16/h1-10H2
(3)InChIKey: LGBYJXBCVZKJBL-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H20N2O2S2/c15-11-7-3-1-5-9-13(11)17-18-14-10-6-2-4-8-12(14)16/h1-10H2
(5)Std. InChIKey: LGBYJXBCVZKJBL-UHFFFAOYSA-N