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CAS 39718-00-8 2-Chlorobenzyl Mercaptan molecular structure lightbox
CAS RN: 39718-00-8

2-Chlorobenzyl Mercaptan

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250826 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-147435
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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: 5g
  • Available purity: ≥98%
  • 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 39718-00-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

39718-00-8 / (2-chlorophenyl)methanethiol

Standard CAS: 39718-00-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39718-00-8
Multi CAS
Yes
Molecular Formula
C7H7CLS
Molecular Weight
158.650000
Exact Mass
157.995699
InChI
InChI=1S/C7H7ClS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey
WWFIIZLHSNBNTC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.14
TPSA
1.0000

LogP / Solubility

WLOGP
2.77
MLOGP
2.43
XLogP3
2.6
Consensus LogP
2.6
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-1.72

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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