4,5-Dihydro-1H-imidazole-2-sulfonic acid supplier

Name
4,5-Dihydro-1H-imidazole-2-sulfonic acid
EINECS
CAS No. 64205-92-1
Article Data1
CAS DataBase
Density 1.89 g/cm³
Solubility
Melting Point 140-145 °C
Formula C₃H₆N₂O₃S
Boiling Point
Molecular Weight 150.158
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,5-DIHYDRO-1H-IMIDAZOLE-2-SULFONIC ACID
PSA 87.14000
LogP -0.32140

4,5-Dihydro-1H-imidazole-2-sulfonic acid Specification

This product is an organic compound with the formula C₃H₆N₂O₃S. The IUPAC name of this chemical is 4,5-dihydro-1H-imidazole-2-sulfonic acid. With the CAS registry number 64205-92-1, it is also named as 1H-Imidazole-2-sulfonic acid, 4,5-dihydro-. In addition, the molecular weight is 150.16.

The other characteristics of 4,5-Dihydro-1H-imidazole-2-sulfonic acid can be summarized as: (1)ACD/Logp: -1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 67.35 Å²; (11)Index of Refraction: 1.698; (12)Molar Refractivity: 30.53 cm³; (13)Molar Volume: 79 cm³; (14)Polarizability: 12.1×10^-24 cm³; (15)Surface Tension: 87.2 dyne/cm; (16)Density: 1.89 g/cm³; (17)Rotatable Bond Count: 1; (18)Exact Mass: 150.009913; (19)MonoIsotopic Mass: 150.009913; (20)Topological Polar Surface Area: 87.1; (21)Heavy Atom Count: 9; (22)Complexity: 224。

People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(O)C/1=N/CCN\1
2. InChI:InChI=1/C3H6N2O3S/c6-9(7,8)3-4-1-2-5-3/h1-2H2,(H,4,5)(H,6,7,8)
3. InChIKey:JTRHTNVGGLWMFV-UHFFFAOYAH
4. Std. InChI:InChI=1S/C3H6N2O3S/c6-9(7,8)3-4-1-2-5-3/h1-2H2,(H,4,5)(H,6,7,8)
5. Std. InChIKey:JTRHTNVGGLWMFV-UHFFFAOYSA-N

Product Name

4,5-Dihydro-1H-imidazole-2-sulfonic acid

4,5-Dihydro-1H-imidazole-2-sulfonic acid Specification

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