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CAS 850852-85-6 2-Amino methylthiazole hydrochloride molecular structure lightbox
CAS RN: 850852-85-6

2-Amino methylthiazole hydrochloride

  • Product code: SSC-193113
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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: ≥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 850852-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

850852-85-6 / 1,3-thiazol-2-ylmethanamine;hydrochloride

Standard CAS: 850852-85-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850852-85-6
Multi CAS
No
Molecular Formula
C4H7CLN2S
Molecular Weight
150.630000
Exact Mass
150.001847
InChI
InChI=1S/C4H6N2S.ClH/c5-3-4-6-1-2-7-4;/h1-2H,3,5H2;1H
InChIKey
AAJCCSYSPIKAJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.25
TPSA
38.91

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
1.02
Consensus LogP
0.98
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-2.91

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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