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CAS 499771-03-8 1,3,4-THIADIAZOL-2-YLMETHANOL molecular structure lightbox
CAS RN: 499771-03-8

1,3,4-THIADIAZOL-2-YLMETHANOL

  • Product code: SSC-156224
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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: 0.05g, 0.1g, 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 499771-03-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

499771-03-8 / 1,3,4-thiadiazol-2-ylmethanol

Standard CAS: 499771-03-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
499771-03-8
Multi CAS
No
Molecular Formula
C3H4N2OS
Molecular Weight
116.140000
Exact Mass
116.004434
InChI
InChI=1S/C3H4N2OS/c6-1-3-5-4-2-7-3/h2,6H,1H2
InChIKey
AKVYYXPCQNRSAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
25.83
TPSA
46.01

LogP / Solubility

WLOGP
0.03
MLOGP
0.02
XLogP3
-0.5
Consensus LogP
-0.15
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
Class (SILICOS-IT)
Very 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)
-3.41

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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