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| CAS No.: | 27665-39-0 |
|---|---|
| Name: | 1,4-Butane-disulfonate |
| Article Data: | 3 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C4H10O6S2 |
| Molecular Weight: | 218.252 |
| Synonyms: | 1,4-Disulfobutane;butane-1,4-disulfonic acid;1,4-Butanedisulfonic acid; |
| EINECS: | 700-472-4 |
| Density: | 1.657 g/cm3 |
| Melting Point: | 84 °C |
| PSA: | 125.50000 |
| LogP: | 1.70380 |
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Specification
The 1,4-Butanedisulfonicacid, with the CAS registry number 27665-39-0, has the systematic name of butane-1,4-disulfonic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C4H10O6S2.
The characteristics of 1,4-Butanedisulfonicacid are as followings: (1)ACD/LogP: -3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -7.67; (4)ACD/LogD (pH 7.4): -7.67; (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: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 103.5 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 41.27 cm3; (15)Molar Volume: 131.6 cm3; (16)Polarizability: 16.36×10-24cm3; (17)Surface Tension: 77.9 dyne/cm; (18)Density: 1.657 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)CCCCS(=O)(=O)O
(2)InChI: InChI=1/C4H10O6S2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)
(3)InChIKey: VERAMNDAEAQRGS-UHFFFAOYAG