(S)-2-Pyrrolidinemethanesulfonic acid supplier

Name
(S)-2-Pyrrolidinemethanesulfonic acid
EINECS
CAS No. 127075-47-2
Article Data7
CAS DataBase
Density 1.329 g/cm³
Solubility
Melting Point
Formula C₅H₁₁NO₃S
Boiling Point
Molecular Weight 165.213
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [(2S)-Pyrrolidin-1-ium-2-yl]methanesulfonate;2-Pyrrolidinemethanesulfonic acid, (2S)-;
PSA 74.78000
LogP 1.03580

(S)-2-Pyrrolidinemethanesulfonic acid Specification

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

Product Name

(S)-2-Pyrrolidinemethanesulfonic acid

(S)-2-Pyrrolidinemethanesulfonic acid Specification

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