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CAS 179554-98-4 4-[(Methylsulfanyl)Methyl]pyridin-2-aMine molecular structure lightbox
CAS RN: 179554-98-4

4-[(Methylsulfanyl)Methyl]pyridin-2-aMine

  • Product code: SSC-079999
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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: 0.25g, 1g
  • Available purity: ≥95%
  • 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 179554-98-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

179554-98-4 / 4-(methylsulfanylmethyl)pyridin-2-amine

Standard CAS: 179554-98-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
179554-98-4
Multi CAS
No
Molecular Formula
C7H10N2S
Molecular Weight
154.240000
Exact Mass
154.056470
SMILES
CSCC1=CC(=NC=C1)N
InChI
InChI=1S/C7H10N2S/c1-10-5-6-2-3-9-7(8)4-6/h2-4H,5H2,1H3,(H2,8,9)
InChIKey
UQSOFBRAWXUTLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.87
TPSA
38.91

LogP / Solubility

WLOGP
1.53
MLOGP
1.34
XLogP3
0.6
Consensus LogP
1.16
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
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)
-2.58

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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