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| CAS No.: | 79-84-5 |
|---|---|
| Name: | 2-Thiophenesulfonic acid |
| Molecular Structure: | |
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| Formula: | C4H4O3S2 |
| Molecular Weight: | 164.206 |
| Synonyms: | THIOPHENE 2-SULFONIC ACID |
| Density: | 1.614 g/cm3 |
| Melting Point: | 71-72℃ |
| PSA: | 90.99000 |
| LogP: | 2.07560 |
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Specification
The 2-Thiophenesulfonicacid, with the CAS registry number 79-84-5, is also known as Thiophene-2-sulfonic acid. This chemical's molecular formula is C4H4O3S2 and molecular weight is 164.20. What's more, its systematic name is Thiophene-2-sulfonic acid.
Physical properties of 2-Thiophenesulfonicacid are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.35; (4)ACD/LogD (pH 7.4): -3.35; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 79.99 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 35.24 cm3; (15)Molar Volume: 101.6 cm3; (16)Polarizability: 13.97×10-24cm3; (17)Surface Tension: 61.8 dyne/cm; (18)Density: 1.614 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1sccc1
(2)Std. InChI: InChI=1S/C4H4O3S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H,5,6,7)
(3)Std. InChIKey: BSXLLFUSNQCWJP-UHFFFAOYSA-N