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CAS No.: | 10438-96-7 |
---|---|
Name: | METHYLSULFAMOYL CHLORIDE |
Article Data: | 30 |
Molecular Structure: | |
Formula: | CH4ClNO2S |
Molecular Weight: | 129.567 |
Synonyms: | Sulfamoylchloride, methyl- (7CI,8CI,9CI);N-Methylaminosulfonyl chloride;N-Methylsulfamoyl chloride;Methylaminosulfonyl chloride;Methylsulfamoylchloride; |
Density: | 1.502 g/cm3 |
Boiling Point: | 188.906 °C at 760 mmHg |
Flash Point: | 68.048 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 54.55000 |
LogP: | 1.16110 |
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The Sulfamoyl chloride,N-methyl- is an organic compound with the formula CH4ClNO2S. The systematic name of this chemical is methylsulfamoyl chloride. With the CAS registry number 10438-96-7, it is also named as Sulfamoyl chloride, methyl-. In addition, the molecular weight is 129.57.
The other characteristics of Sulfamoyl chloride,N-methyl- can be summarized as: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4):; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25; (8)ACD/KOC (pH 7.4): 20; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.55 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 23.97 cm3; (15)Molar Volume: 86.276 cm3; (16)Polarizability: 9.502×10-24 cm3; (17)Surface Tension: 43.467 dyne/cm; (18)Density: 1.502 g/cm3; (19)Flash Point: 68.048 °C; (20)Enthalpy of Vaporization: 42.512 kJ/mol; (21)Boiling Point: 188.906 °C at 760 mmHg; (22)Vapour Pressure: 0.585 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:ClS(=O)(=O)NC
2. InChI:InChI=1/CH4ClNO2S/c1-3-6(2,4)5/h3H,1H3
3. InChIKey:UJJUEJRWNWVHCM-UHFFFAOYAY
4. Std. InChI:InChI=1S/CH4ClNO2S/c1-3-6(2,4)5/h3H,1H3
5. Std. InChIKey:UJJUEJRWNWVHCM-UHFFFAOYSA-N