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CAS 49847-44-1 1-CYCLOHEXYL-1H-TETRAZOLE-5-THIOL molecular structure lightbox
CAS RN: 49847-44-1

1-CYCLOHEXYL-1H-TETRAZOLE-5-THIOL

  • Product code: SSC-156139
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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: 5g
  • 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 49847-44-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

49847-44-1 / 1-cyclohexyl-2H-tetrazole-5-thione

Standard CAS: 49847-44-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
49847-44-1
Multi CAS
Yes
Molecular Formula
C7H12N4S
Molecular Weight
184.260000
Exact Mass
184.078268
InChI
InChI=1S/C7H12N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,10,12)
InChIKey
UFYPTOJTJONMJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.33
TPSA
46.5

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
3.1
Consensus LogP
2.19
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.54

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
1.5

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