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CAS 614-78-8 o-Tolylthiourea molecular structure lightbox
CAS RN: 614-78-8

o-Tolylthiourea

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251004 1g In stock Shanghai, Chongqing Inquiry
Batchno.20250825 25g In stock Shandong Inquiry
Batchno.20250130 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-170279
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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: 25g
  • 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 614-78-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

614-78-8 / (2-methylphenyl)thiourea

Standard CAS: 614-78-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
614-78-8
Multi CAS
No
Molecular Formula
C8H10N2S
Molecular Weight
166.250000
Exact Mass
166.056470
InChI
InChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKey
ACLZYRNSDLQOIA-UHFFFAOYSA-N

Physical Properties

Melting Point
304 to 324 °F (EPA, 1998) 162 °C
Physical Description
Thiourea, (2-methylphenyl)- is a crystalline solid. (EPA, 1998) Solid; [HSDB] Powder; Colorless odorless solid; [FAHAZMAT]
Appearance
Needles (from dilute ethanol, water)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
51.59
TPSA
38.05

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
0.9
Consensus LogP
1.33
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.56

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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