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CAS 84783-67-5 1-(4-methylsulphonylphenyl)thiourea molecular structure lightbox
CAS RN: 84783-67-5

1-(4-methylsulphonylphenyl)thiourea

  • Product code: SSC-192402
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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 84783-67-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

84783-67-5 / (4-methylsulfonylphenyl)thiourea

Standard CAS: 84783-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84783-67-5
Multi CAS
No
Molecular Formula
C8H10N2O2S2
Molecular Weight
230.300000
Exact Mass
230.018370
InChI
InChI=1S/C8H10N2O2S2/c1-14(11,12)7-4-2-6(3-5-7)10-8(9)13/h2-5H,1H3,(H3,9,10,13)
InChIKey
GZVDZCUMARHBQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.96
TPSA
72.19

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
0.6
Consensus LogP
0.67
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.6

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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