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CAS 372089-60-6 Carbamic acid, 1,2,3-thiadiazol-5-yl-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 372089-60-6

Carbamic acid, 1,2,3-thiadiazol-5-yl-, 1,1-dimethylethyl ester (9CI)

  • Product code: SSC-144546
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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 372089-60-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

372089-60-6 / tert-butyl N-(thiadiazol-5-yl)carbamate

Standard CAS: 372089-60-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
372089-60-6
Multi CAS
No
Molecular Formula
C7H11N3O2S
Molecular Weight
201.250000
Exact Mass
201.057198
InChI
InChI=1S/C7H11N3O2S/c1-7(2,3)12-6(11)9-5-4-8-10-13-5/h4H,1-3H3,(H,9,11)
InChIKey
IGEBDAJWENTTJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
49.77
TPSA
64.11

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
1.3
Consensus LogP
1.62
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.61

Drug-likeness / Medicinal Chemistry

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

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