(1,1-Dioxo-tetrahydro-1lambda6-thiophen-3-yl)-methyl-amine supplier

Name
(1,1-Dioxo-tetrahydro-1lambda6-thiophen-3-yl)-methyl-amine
EINECS 256-947-7
CAS No. 51070-55-4
Article Data2
CAS DataBase
Density 1.23 g/cm³
Solubility
Melting Point
Formula C₅H₁₁NO₂S
Boiling Point 325.1 °C at 760 mmHg
Molecular Weight 149.214
Flash Point 150.4 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms N-Methyl-3-sulfolanylamine;
PSA 54.55000
LogP 0.86460

(1,1-Dioxo-tetrahydro-1lambda6-thiophen-3-yl)-methyl-amine Specification

The (1,1-Dioxo-tetrahydro-1lambda6-thiophen-3-yl)-methyl-amine is an organic compound with the formula C₅H₁₁NO₂S. The IUPAC name of this chemical is N-methyl-1,1-dioxothiolan-3-amine. With the CAS registry number 51070-55-4 and EINECS 256-947-7, it is also named as Tetrahydro-N-methylthiophen-3-amine 1,1-dioxide. In addition, the molecular weight is 149.21.

The other characteristics of (1,1-Dioxo-tetrahydro-1lambda6-thiophen-3-yl)-methyl-amine can be summarized as: (1)ACD/LogP: -1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.6; (4)ACD/LogD (pH 7.4): -1.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.34; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.76 Å²; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 35.59 cm³; (15)Molar Volume: 121 cm³; (16)Polarizability: 14.11×10^-24 cm³; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 150.4 °C; (20)Enthalpy of Vaporization: 56.72 kJ/mol; (21)Boiling Point: 325.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000235 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=S1(=O)CCC(NC)C1
2. InChI:InChI=1/C5H11NO2S/c1-6-5-2-3-9(7,8)4-5/h5-6H,2-4H2,1H3
3. InChIKey:MGNJNMNVFHVRHJ-UHFFFAOYAA
4. Std. InChI:InChI=1S/C5H11NO2S/c1-6-5-2-3-9(7,8)4-5/h5-6H,2-4H2,1H3
5. Std. InChIKey:MGNJNMNVFHVRHJ-UHFFFAOYSA-N

Product Name

(1,1-Dioxo-tetrahydro-1lambda6-thiophen-3-yl)-methyl-amine

(1,1-Dioxo-tetrahydro-1lambda6-thiophen-3-yl)-methyl-amine Specification

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