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CAS 20605-40-7 Benzenecarbothioic acid, hydrazide molecular structure lightbox
CAS RN: 20605-40-7

Benzenecarbothioic acid, hydrazide

  • Product code: SSC-097137
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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: 0.1g
  • 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 20605-40-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Beijing Inquiry

20605-40-7 / benzenecarbothiohydrazide

Standard CAS: 20605-40-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20605-40-7
Multi CAS
No
Molecular Formula
C7H8N2S
Molecular Weight
152.220000
Exact Mass
152.040819
SMILES
C1=CC=C(C=C1)C(=S)NN
InChI
InChI=1S/C7H8N2S/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
InChIKey
PNALOBAQBMAHBZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.47
TPSA
38.05

LogP / Solubility

WLOGP
0.83
MLOGP
0.72
XLogP3
0.8
Consensus LogP
0.78
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-3.06

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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