Products Categories
CAS No.: | 127075-47-2 |
---|---|
Name: | (S)-2-Pyrrolidinemethanesulfonic acid |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C5H11NO3S |
Molecular Weight: | 165.213 |
Synonyms: | [(2S)-Pyrrolidin-1-ium-2-yl]methanesulfonate;2-Pyrrolidinemethanesulfonic acid, (2S)-; |
Density: | 1.329 g/cm3 |
PSA: | 74.78000 |
LogP: | 1.03580 |
What can I do for you?
Get Best Price
The (S)-2-Pyrrolidinemethanesulfonic acid is an organic compound with the formula C5H11NO3S. The IUPAC name of this chemical is [(2S)-Pyrrolidin-1-ium-2-yl]methanesulfonate. With the CAS registry number 127075-47-2, it is also named as 2-Pyrrolidinemethanesulfonic acid, (2S)-. Besides, its molecular weight is 165.21.
The physical properties of (S)-2-Pyrrolidinemethanesulfonic acid are: (1)ACD/LogP: -2.11; (2)ACD/LogD (pH 5.5): -4; (3)ACD/LogD (pH 7.4): -4; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 74.78 Å2; (12)Index of Refraction: 1.509; (13)Molar Refractivity: 37.133 cm3; (14)Molar Volume: 124.353 cm3; (15)Polarizability: 14.721×10-24 cm3; (16)Surface Tension: 54.091 dyne/cm; (17)Density: 1.329 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)C[C@H]1NCCC1
(2)InChI: InChI=1/C5H11NO3S/c7-10(8,9)4-5-2-1-3-6-5/h5-6H,1-4H2,(H,7,8,9)/t5-/m0/s1
(3)InChIKey: JYFHRLOWRFUNPU-YFKPBYRVBI
(4)Std. InChI: InChI=1S/C5H11NO3S/c7-10(8,9)4-5-2-1-3-6-5/h5-6H,1-4H2,(H,7,8,9)/t5-/m0/s1
(5)Std. InChIKey: JYFHRLOWRFUNPU-YFKPBYRVSA-N