1,1'-Dithiobis[hexahydro-2H-azepin-2-one] supplier

Name
CAPROLACTAMDISULFIDE
EINECS 245-910-0
CAS No. 23847-08-7
Article Data4
CAS DataBase
Density 1.28 g/cm³
Solubility 1.4g/L at 25℃
Melting Point
Formula C₁₂H₂₀N₂O₂S₂
Boiling Point 422.3 °C at 760 mmHg
Molecular Weight 288.435
Flash Point 209.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms CLD 80;N,N'-Dicaprolactam disulfide;N,N'-Dithiobis(hexahydro-2H-azepinone);N,N'-Dithiodicaprolactam;Rhenocure S;Rhenogran CLD 80;
PSA 91.22000
LogP 2.87880

1,1'-Dithiobis[hexahydro-2H-azepin-2-one] 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

Product Name

CAPROLACTAMDISULFIDE

1,1'-Dithiobis[hexahydro-2H-azepin-2-one] Specification

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