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CAS 56632-36-1 1H-Indole-1-carbothioamide, 5-chloro-2,3-dihydro- molecular structure lightbox
CAS RN: 56632-36-1

1H-Indole-1-carbothioamide, 5-chloro-2,3-dihydro-

  • Product code: SSC-164677
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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 56632-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

56632-36-1 / 5-chloro-2,3-dihydroindole-1-carbothioamide

Standard CAS: 56632-36-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56632-36-1
Multi CAS
No
Molecular Formula
C9H9CLN2S
Molecular Weight
212.700000
Exact Mass
212.017497
InChI
InChI=1S/C9H9ClN2S/c10-7-1-2-8-6(5-7)3-4-12(8)9(11)13/h1-2,5H,3-4H2,(H2,11,13)
InChIKey
ZLXNHTMGQNPGEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.29
TPSA
29.26

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
2
Consensus LogP
1.89
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.64

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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