-
Name
1,4-BUTANESULTAM
- EINECS
- CAS No. 37441-50-2
- Article Data18
- CAS DataBase
- Density 1.239 g/cm3
- Solubility
- Melting Point 74-84°C
- Formula C4H9NO2S
- Boiling Point 239.2 °C at 760 mmHg
- Molecular Weight 135.187
- Flash Point 98.5 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 1,1-Dioxo-1,2-thiazinane;1,2-Thiazinane 1,1-dioxide;1,4-Butane sultam;NSC191905;
- PSA 54.55000
- LogP 1.10920
2H-1,2-Thiazine,tetrahydro-, 1,1-dioxide 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
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