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CAS 1131610-84-8 Thiotolyl beta-D-ribofuranoside molecular structure lightbox
CAS RN: 1131610-84-8

Thiotolyl beta-D-ribofuranoside

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250101 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-013340
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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: ＞97%
  • 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 1131610-84-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

1131610-84-8 / (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(4-methylphenyl)sulfanyloxolane-3,4-diol

4-(((2S,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)benzothialdehyde | 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxythiobenzaldehyde | MFCD33405169

Standard CAS: 1131610-84-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1131610-84-8
Multi CAS
Yes
Molecular Formula
C12H16O4S
Molecular Weight
256.320000
Exact Mass
256.076930
SMILES
CC1=CC=C(C=C1)S[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C12H16O4S/c1-7-2-4-8(5-3-7)17-12-11(15)10(14)9(6-13)16-12/h2-5,9-15H,6H2,1H3
InChIKey
HAIKIYVHHZHPJW-UHFFFAOYSA-N
Synonyms
4-(((2S,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)benzothialdehyde 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxythiobenzaldehyde MFCD33405169 4-Methylphenyl -1-Thio-|A-D-ribofuranoside 4-Methylphenyl-1-thio-beta-D-ribofuranoside

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
64.8
TPSA
69.92

LogP / Solubility

WLOGP
0.53
MLOGP
0.47
XLogP3
1.3
Consensus LogP
0.77
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately 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)
-3.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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