Name: 1,4-BUTANESULTAM
SKU: 37441-50-2

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Basic Information

Molecular Structure:
CAS No.:	37441-50-2
Name:	1,4-BUTANESULTAM
Article Data:	18

Formula:	C₄H₉NO₂S
Molecular Weight:	135.187
Synonyms:	1,1-Dioxo-1,2-thiazinane;1,2-Thiazinane 1,1-dioxide;1,4-Butane sultam;NSC191905;
Density:	1.239 g/cm³
Melting Point:	74-84°C
Boiling Point:	239.2 °C at 760 mmHg
Flash Point:	98.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	54.55000
LogP:	1.10920

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Specification

The 2H-1,2-Thiazine,tetrahydro-, 1,1-dioxide, with the CAS registry number 37441-50-2, has the systematic name of 1,2-thiazinane 1,1-dioxide. It belongs to the following product categories: Blocks; Building Blocks; Sulfonamides. And the molecular formula of the chemical is C₄H₉NO₂S.

The characteristics of 2H-1,2-Thiazine,tetrahydro-, 1,1-dioxide are as followings: (1)ACD/LogP: -0.80; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 45.76 Å²; (7)Index of Refraction: 1.48; (8)Molar Refractivity: 30.98 cm³; (9)Molar Volume: 109 cm³; (10)Polarizability: 12.28×10^-24cm³; (11)Surface Tension: 35.1 dyne/cm; (12)Density: 1.239 g/cm³; (13)Flash Point: 98.5 °C; (14)Enthalpy of Vaporization: 47.61 kJ/mol; (15)Boiling Point: 239.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0406 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S1(=O)NCCCC1
(2)InChI: InChI=1/C4H9NO2S/c6-8(7)4-2-1-3-5-8/h5H,1-4H2
(3)InChIKey: DNGMYXZLJGHHOM-UHFFFAOYAN