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CAS 1269119-14-3 4,6-Dichloro-2-(Methylthio)pyriMidine-5-carbonyl Chloride molecular structure lightbox
CAS RN: 1269119-14-3

4,6-Dichloro-2-(Methylthio)pyriMidine-5-carbonyl Chloride

  • Product code: SSC-034199
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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
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1269119-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

1269119-14-3 / 4,6-dichloro-2-methylsulfanylpyrimidine-5-carbonyl chloride

Standard CAS: 1269119-14-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1269119-14-3
Multi CAS
No
Molecular Formula
C6H3Cl3N2OS
Molecular Weight
257.500000
Exact Mass
255.903167
SMILES
CSC1=NC(=C(C(=N1)Cl)C(=O)Cl)Cl
InChI
InChI=1S/C6H3Cl3N2OS/c1-13-6-10-3(7)2(5(9)12)4(8)11-6/h1H3
InChIKey
MHZGWIOWCZZQNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
54.02
TPSA
42.85

LogP / Solubility

WLOGP
2.88
MLOGP
2.55
XLogP3
3.5
Consensus LogP
2.98
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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