Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrrole-2-sulfonicacid |
EINECS | 284-386-8 |
CAS No. | 84864-63-1 | Density | 1.625g/cm3 |
PSA | 78.54000 | LogP | 1.34220 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H5NO3S | Boiling Point | N/A |
Molecular Weight | 147.155 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Pyrrolesulfonicacid (5CI); |
Article Data | 2 |
The 1H-Pyrrole-2-sulfonicacid, with CAS registry number 84864-63-1, belongs to the following product category: Benzenes. It has the systematic name of 1H-pyrrole-2-sulfonic acid. And the chemical formula of this chemical is C4H5NO3S. What's more, its EINECS is 284-386-8.
Physical properties of 1H-Pyrrole-2-sulfonicacid: (1)ACD/LogP: -1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.5; (4)ACD/LogD (pH 7.4): -4.5; (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; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 56.68 Å2; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 31.02 cm3; (15)Molar Volume: 90.5 cm3; (16)Polarizability: 12.3×10-24cm3; (17)Surface Tension: 69.7 dyne/cm; (18)Density: 1.625 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cccn1
(2)InChI: InChI=1/C4H5NO3S/c6-9(7,8)4-2-1-3-5-4/h1-3,5H,(H,6,7,8)
(3)InChIKey: KKQCQCXUVZBOCL-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C4H5NO3S/c6-9(7,8)4-2-1-3-5-4/h1-3,5H,(H,6,7,8)
(5)Std. InChIKey: KKQCQCXUVZBOCL-UHFFFAOYSA-N