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CAS 99469-85-9 4,5-Dichloro-2-(methylthio)pyrimidine molecular structure lightbox
CAS RN: 99469-85-9

4,5-Dichloro-2-(methylthio)pyrimidine

  • Product code: SSC-213190
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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: 0.25g, 1g, 5g, 10g
  • 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 99469-85-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g -- 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g -- 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

99469-85-9 / 4,5-dichloro-2-methylsulfanylpyrimidine

Standard CAS: 99469-85-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99469-85-9
Multi CAS
No
Molecular Formula
C5H4CL2N2S
Molecular Weight
195.070000
Exact Mass
193.947225
InChI
InChI=1S/C5H4Cl2N2S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3
InChIKey
JATIYCWFOYRIEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
43.83
TPSA
25.78

LogP / Solubility

WLOGP
2.51
MLOGP
2.2
XLogP3
2.6
Consensus LogP
2.44
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-2.13

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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