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CAS 27143-76-6 1-(4-CHLORO-PHENYL)-1H-TETRAZOLE-5-THIOL molecular structure lightbox
CAS RN: 27143-76-6

1-(4-CHLORO-PHENYL)-1H-TETRAZOLE-5-THIOL

  • Product code: SSC-125961
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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 27143-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

27143-76-6 / 1-(4-chlorophenyl)-2H-tetrazole-5-thione

Standard CAS: 27143-76-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27143-76-6
Multi CAS
No
Molecular Formula
C7H5ClN4S
Molecular Weight
212.660000
Exact Mass
211.992345
SMILES
C1=CC(=CC=C1N2C(=S)N=NN2)Cl
InChI
InChI=1S/C7H5ClN4S/c8-5-1-3-6(4-2-5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13)
InChIKey
QPTIWFZSPZVBEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.55
TPSA
46.5

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
3.4
Consensus LogP
2.37
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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