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CAS 1208170-17-5 4-Chloro-6-Methyl-2-(Methylthio)pyriMidine-5-carbonitrile molecular structure lightbox
CAS RN: 1208170-17-5

4-Chloro-6-Methyl-2-(Methylthio)pyriMidine-5-carbonitrile

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250416 100mg In stock Shanghai Inquiry
Batchno.20250110 1g In stock Shanghai Inquiry
Batchno.20250429 250mg In stock Shanghai Inquiry
Batchno.20260531 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-022172
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1208170-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1208170-17-5 / 4-chloro-6-methyl-2-methylsulfanylpyrimidine-5-carbonitrile

4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile | MFCD28134480 | 4-chloro-6-methyl-2-methylsulfanylpyrimidine-5-carbonitrile

Standard CAS: 1208170-17-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1208170-17-5
Multi CAS
No
Molecular Formula
C7H6ClN3S
Molecular Weight
199.660000
Exact Mass
198.997096
SMILES
CC1=C(C(=NC(=N1)SC)Cl)C#N
InChI
InChI=1S/C7H6ClN3S/c1-4-5(3-9)6(8)11-7(10-4)12-2/h1-2H3
InChIKey
RNSMJMNRTRHBSF-UHFFFAOYSA-N
Synonyms
4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile MFCD28134480 4-chloro-6-methyl-2-methylsulfanylpyrimidine-5-carbonitrile 4-Chloro-6-methyl-2-(methylthio)-pyrimidine-5-carbonitrile SCHEMBL1939799

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
48.28
TPSA
49.57

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
2.1
Consensus LogP
1.97
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately 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)
-2.5

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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