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CAS 207277-11-0 5-methyl-3-Thiophenemethanol molecular structure lightbox
CAS RN: 207277-11-0

5-methyl-3-Thiophenemethanol

  • Product code: SSC-097589
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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 207277-11-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

207277-11-0 / (5-methylthiophen-3-yl)methanol

Standard CAS: 207277-11-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207277-11-0
Multi CAS
No
Molecular Formula
C6H8OS
Molecular Weight
128.190000
Exact Mass
128.029586
SMILES
CC1=CC(=CS1)CO
InChI
InChI=1S/C6H8OS/c1-5-2-6(3-7)4-8-5/h2,4,7H,3H2,1H3
InChIKey
TZUNKFFVTXJZRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.98
TPSA
20.23

LogP / Solubility

WLOGP
1.55
MLOGP
1.35
XLogP3
1.1
Consensus LogP
1.33
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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