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CAS 931-59-9 Phenylsulfenylchloride molecular structure lightbox
CAS RN: 931-59-9

Phenylsulfenylchloride

  • Product code: SSC-207119
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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: 10g
  • 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 931-59-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

931-59-9 / phenyl thiohypochlorite

Standard CAS: 931-59-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
931-59-9
Multi CAS
No
Molecular Formula
C6H5CLS
Molecular Weight
144.620000
Exact Mass
143.980049
InChI
InChI=1S/C6H5ClS/c7-8-6-4-2-1-3-5-6/h1-5H
InChIKey
JWUKZUIGOJBEPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
38.15
TPSA
25.3000

LogP / Solubility

WLOGP
2.93
MLOGP
2.57
XLogP3
2.8
Consensus LogP
2.77
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly 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)
-1.52

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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