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CAS 64837-52-1 1,3,4-Thiadiazole-2-carboxaMide, 5-chloro- molecular structure lightbox
CAS RN: 64837-52-1

1,3,4-Thiadiazole-2-carboxaMide, 5-chloro-

  • Product code: SSC-174503
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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: ＞97%
  • 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 64837-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

64837-52-1 / 5-chloro-1,3,4-thiadiazole-2-carboxamide

Standard CAS: 64837-52-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64837-52-1
Multi CAS
No
Molecular Formula
C3H2CLN3OS
Molecular Weight
163.590000
Exact Mass
162.960711
InChI
InChI=1S/C3H2ClN3OS/c4-3-7-6-2(9-3)1(5)8/h(H2,5,8)
InChIKey
IBGNUSRLIIGHBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
33.44
TPSA
68.87

LogP / Solubility

WLOGP
0.29
MLOGP
0.25
XLogP3
0.5
Consensus LogP
0.35
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
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)
-3.51

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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