1H-Pyrrole-2-sulfonicacid supplier

Name
1H-pyrrole-2-sulphonic acid
EINECS 284-386-8
CAS No. 84864-63-1
Article Data2
CAS DataBase
Density 1.625g/cm³
Solubility
Melting Point
Formula C₄H₅NO₃S
Boiling Point
Molecular Weight 147.155
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyrrolesulfonicacid (5CI);
PSA 78.54000
LogP 1.34220

1H-Pyrrole-2-sulfonicacid Specification

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

Product Name

1H-pyrrole-2-sulphonic acid

1H-Pyrrole-2-sulfonicacid Specification

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