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[ CAS No. 1184-90-3 ] Aminoiminomethanesulfonic Acid

Cat. No.: A131304
Chemical Structure| 1184-90-3
Chemical Structure| 1184-90-3
Structure of 1184-90-3 * Storage: Inert atmosphere,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
95% 100mg $25.00 Inquiry Inquiry
95% 250mg $36.00 Inquiry Inquiry
95% 1g $110.00 Inquiry Inquiry
95% 5g $490.00 Inquiry Inquiry

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Product Details of [ 1184-90-3 ]

CAS No. :1184-90-3 MDL No. :MFCD19203404
Formula : CH4N2O3S Boiling Point : No data available
Linear Structure Formula :- InChI Key :AOPRFYAPABFRPU-UHFFFAOYSA-N
M.W : 124.12 Pubchem ID :9877361
Synonyms :
Chemical Name :Amino(imino)methanesulfonic acid

Calculated chemistry of [ 1184-90-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 3.0
Molar Refractivity : 23.75
TPSA : 112.62 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.19 cm/s

Lipophilicity

Log Po/w (iLOGP) : -1.44
Log Po/w (XLOGP3) : -1.59
Log Po/w (WLOGP) : -0.15
Log Po/w (MLOGP) : -2.27
Log Po/w (SILICOS-IT) : -0.05
Consensus Log Po/w : -1.1

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.46
Solubility : 356.0 mg/ml ; 2.87 mol/l
Class : Highly soluble
Log S (Ali) : -0.27
Solubility : 67.2 mg/ml ; 0.542 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 1.08
Solubility : 1490.0 mg/ml ; 12.0 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.0

Safety of [ 1184-90-3 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1184-90-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 1184-90-3 ]
  • Downstream synthetic route of [ 1184-90-3 ]

[ 1184-90-3 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 1184-90-3 ]
  • [ 134-20-3 ]
  • [ 20198-19-0 ]
  • [ 40078-06-6 ]
Reference: [1] Synthetic Communications, 1998, vol. 28, # 11, p. 2125 - 2129
[2] Synthetic Communications, 1998, vol. 28, # 11, p. 2125 - 2129
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[ 1184-90-3 ]

Sulfonic Acids

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[ 64205-92-1 ]

4,5-Dihydro-1H-imidazole-2-sulfonic acid

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