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CAS 16097-63-5 4-CHLORO-2-(METHYLSULFANYL)-6-(TRIFLUOROMETHYL)PYRIMIDINE molecular structure lightbox
CAS RN: 16097-63-5

4-CHLORO-2-(METHYLSULFANYL)-6-(TRIFLUOROMETHYL)PYRIMIDINE

Product Availability

Choose a grade to view its available package options.

8 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260528 10g Out of stock Inquiry
Batchno.20250314 1g In stock Inquiry
Batchno.20250524 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260130 100g In stock Tianjin Inquiry
Batchno.20260114 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250808 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260113 25g Out of stock Inquiry
Batchno.20250702 5g In stock Chengdu Inquiry
  • Product code: SSC-068742
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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: 1g, 5g, 10g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • 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 16097-63-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

16097-63-5 / 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine

Standard CAS: 16097-63-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16097-63-5
Multi CAS
No
Molecular Formula
C6H4ClF3N2S
Molecular Weight
228.620000
Exact Mass
227.973582
SMILES
CSC1=NC(=CC(=N1)Cl)C(F)(F)F
InChI
InChI=1S/C6H4ClF3N2S/c1-13-5-11-3(6(8,9)10)2-4(7)12-5/h2H,1H3
InChIKey
GOORQLLDZBAQIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
43.83
TPSA
25.78

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
2.9
Consensus LogP
2.77
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.08

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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