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CAS 148580-41-0 1-(TETRAHYDROFURAN-2-YLMETHYL)-1H-TETRAZOLE-5-THIOL molecular structure lightbox
CAS RN: 148580-41-0

1-(TETRAHYDROFURAN-2-YLMETHYL)-1H-TETRAZOLE-5-THIOL

  • Product code: SSC-058836
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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 148580-41-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

148580-41-0 / 1-(oxolan-2-ylmethyl)-2H-tetrazole-5-thione

Standard CAS: 148580-41-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148580-41-0
Multi CAS
No
Molecular Formula
C6H10N4OS
Molecular Weight
186.240000
Exact Mass
186.057532
SMILES
C1CC(OC1)CN2C(=S)N=NN2
InChI
InChI=1S/C6H10N4OS/c12-6-7-8-9-10(6)4-5-2-1-3-11-5/h5H,1-4H2,(H,7,9,12)
InChIKey
SYOBWORJANEUTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
44.18
TPSA
55.73

LogP / Solubility

WLOGP
0.51
MLOGP
0.45
XLogP3
1.7
Consensus LogP
0.89
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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