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CAS 583-91-5 2-Hydroxy-4-(methylthio)butyric Acid (65-72% in Water) molecular structure lightbox
CAS RN: 583-91-5

2-Hydroxy-4-(methylthio)butyric Acid (65-72% in Water)

  • Product code: SSC-166541
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 583-91-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

583-91-5 / 2-hydroxy-4-methylsulfanylbutanoic acid

Standard CAS: 583-91-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
583-91-5
Multi CAS
Yes
Molecular Formula
C5H10O3S
Molecular Weight
150.200000
Exact Mass
150.035065
InChI
InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKey
ONFOSYPQQXJWGS-UHFFFAOYSA-N

Physical Properties

Melting Point
250 °C
Density
1.21 to 1.23 (USCG, 1999)
Physical Description
2-hydroxy-4-(methylthio)-butanoic acid is a light brown liquid. (USCG, 1999) Light brown liquid; [CAMEO] Light brown to brown liquid with an odor of sulfur; Solid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.64
TPSA
57.53

LogP / Solubility

WLOGP
0.18
MLOGP
0.16
XLogP3
0.2
Consensus LogP
0.18
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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