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CAS 1242881-37-3 (R)-2-Mercaptobutanoic acid molecular structure lightbox
CAS RN: 1242881-37-3

(R)-2-Mercaptobutanoic acid

  • Product code: SSC-028191
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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: 1g
  • 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 1242881-37-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1242881-37-3 / (2S)-2-sulfanylbutanoic acid

Standard CAS: 1242881-37-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1242881-37-3
Multi CAS
No
Molecular Formula
C4H8O2S
Molecular Weight
120.170000
Exact Mass
120.024501
SMILES
CC[C@@H](C(=O)O)S
InChI
InChI=1S/C4H8O2S/c1-2-3(7)4(5)6/h3,7H,2H2,1H3,(H,5,6)/t3-/m0/s1
InChIKey
CFPHMAVQAJGVPV-VKHMYHEASA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.7
TPSA
37.3

LogP / Solubility

WLOGP
0.78
MLOGP
0.68
XLogP3
1
Consensus LogP
0.82
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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