Toxicity data
(The meaning of any toxicological abbrevia
Molecule structure of 1-Butanesulfonic acid (CAS NO.2386-47-2):
IUPAC Name: Butane-1-sulfonic acid
Molecular Weight: 138.1854 [g/mol]
Molecular Formula: C4H10O3S
Index of Refraction: 1.458
Molar Refractivity: 30.91 cm3
Molar Volume: 113.1 cm3
Surface Tension: 43.9 dyne/cm
Density: 1.221 g/cm3
Stability: incompatible with strong oxidizing agents, bases.
XLogP3-AA: 0.4
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 138.035065
MonoIsotopic Mass: 138.035065
Topological Polar Surface Area: 54.4
Heavy Atom Count: 8
Canonical SMILES: CCCCS(=O)(=O)O
InChI: InChI=1S/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)
InChIKey: QDHFHIQKOVNCNC-UHFFFAOYSA-N
EINECS of 1-Butanesulfonic acid (CAS NO.2386-47-2): 219-198-7
1-Butanesulfonic acid (CAS NO.2386-47-2) is also named as Butane-1-sulphonic acid ; Butanesulfonic acid .
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