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Basic Information
CAS No.: 51070-55-4
Name: (1,1-Dioxo-tetrahydro-1lambda6-thiophen-3-yl)-methyl-amine
Article Data: 2
Molecular Structure:
Molecular Structure of 51070-55-4 ((1,1-Dioxo-tetrahydro-1lambda6-thiophen-3-yl)-methyl-amine)
Formula: C5H11NO2S
Molecular Weight: 149.214
Synonyms: N-Methyl-3-sulfolanylamine;
EINECS: 256-947-7
Density: 1.23 g/cm3
Boiling Point: 325.1 °C at 760 mmHg
Flash Point: 150.4 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 54.55000
LogP: 0.86460
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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