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CAS 6764-10-9 2-NITRO-4′-CHLORO DIPHENYL SULFIDE molecular structure lightbox
CAS RN: 6764-10-9

2-NITRO-4′-CHLORO DIPHENYL SULFIDE

  • Product code: SSC-177370
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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 6764-10-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

6764-10-9 / 1-(4-chlorophenyl)sulfanyl-2-nitrobenzene

Standard CAS: 6764-10-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6764-10-9
Multi CAS
Yes
Molecular Formula
C12H8CLNO2S
Molecular Weight
265.720000
Exact Mass
264.996427
InChI
InChI=1S/C12H8ClNO2S/c13-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)14(15)16/h1-8H
InChIKey
QDZAHNHWJFQWDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
68.67
TPSA
43.14

LogP / Solubility

WLOGP
4.4
MLOGP
3.88
XLogP3
4.4
Consensus LogP
4.23
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.22

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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