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CAS 1671-08-5 5-methoxy-2-(methylthio)pyrimidin-4-ol molecular structure lightbox
CAS RN: 1671-08-5

5-methoxy-2-(methylthio)pyrimidin-4-ol

  • Product code: SSC-072888
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1671-08-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1671-08-5 / 5-methoxy-2-methylsulfanyl-1H-pyrimidin-6-one

Standard CAS: 1671-08-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1671-08-5
Multi CAS
No
Molecular Formula
C6H8N2O2S
Molecular Weight
172.210000
Exact Mass
172.030649
SMILES
COC1=CN=C(NC1=O)SC
InChI
InChI=1S/C6H8N2O2S/c1-10-4-3-7-6(11-2)8-5(4)9/h3H,1-2H3,(H,7,8,9)
InChIKey
PCFMDDLVLHIRNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.19
TPSA
54.98

LogP / Solubility

WLOGP
0.5
MLOGP
0.44
XLogP3
0.4
Consensus LogP
0.45
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-3.42

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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