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CAS 102921-92-6 (2-(Methylthio)pyriMidin-4-yl)Methanol molecular structure lightbox
CAS RN: 102921-92-6

(2-(Methylthio)pyriMidin-4-yl)Methanol

  • Product code: SSC-004261
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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, 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 102921-92-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shanghai Inquiry
10g >97% 1 In Stock Beijing Inquiry
25g >97% 1 In Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

102921-92-6 / (2-methylsulfanylpyrimidin-4-yl)methanol

(2-(Methylthio)pyrimidin-4-yl)methanol | (2-methylsulfanylpyrimidin-4-yl)methanol | MFCD12964108

Standard CAS: 102921-92-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
102921-92-6
Multi CAS
No
Molecular Formula
C6H8N2OS
Molecular Weight
156.210000
Exact Mass
156.035734
SMILES
CSC1=NC=CC(=N1)CO
InChI
InChI=1S/C6H8N2OS/c1-10-6-7-3-2-5(4-9)8-6/h2-3,9H,4H2,1H3
InChIKey
NTKSOHDODBYGFL-UHFFFAOYSA-N
Synonyms
(2-(Methylthio)pyrimidin-4-yl)methanol (2-methylsulfanylpyrimidin-4-yl)methanol MFCD12964108 [2-(methylthio)pyrimidin-4-yl]methanol 2-Methylsulfanyl-pyrimidine-4-methanol

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.74
TPSA
46.01

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
0.2
Consensus LogP
0.5
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.18

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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