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CAS 1060-92-0 1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea molecular structure lightbox
CAS RN: 1060-92-0

1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250926 100mg In stock Inquiry
Batchno.20260425 1g In stock Inquiry
Batchno.20250803 250mg In stock Inquiry
Batchno.20260201 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251015 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250912 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250301 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20251106 25g In stock Shanghai Inquiry
Batchno.20250921 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-007665
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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: ＞97%
  • 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 1060-92-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1060-92-0 / 1,3-bis[3,5-bis(trifluoromethyl)phenyl]thiourea

N,N'-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea | N,N'-Bis(3,5-bis(trifluoromethyl)phenyl)thiourea | RefChem:821765

Standard CAS: 1060-92-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1060-92-0
Multi CAS
No
Molecular Formula
C17H8F12N2S
Molecular Weight
500.300000
Exact Mass
500.021657
SMILES
C1=C(C=C(C=C1C(F)(F)F)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C17H8F12N2S/c18-14(19,20)7-1-8(15(21,22)23)4-11(3-7)30-13(32)31-12-5-9(16(24,25)26)2-10(6-12)17(27,28)29/h1-6H,(H2,30,31,32)
InChIKey
RWXWQJYJWJNJNW-UHFFFAOYSA-N
Synonyms
N,N'-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea N,N'-Bis(3,5-bis(trifluoromethyl)phenyl)thiourea RefChem:821765 110-027-0 1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
92.74
TPSA
24.06

LogP / Solubility

WLOGP
7.57
MLOGP
6.7
XLogP3
6.6
Consensus LogP
6.96
Log S (ESOL)
-7.86
Class (ESOL)
Insoluble
Log S (Ali)
-9.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.4

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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