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CAS 102-08-9 N,N’-Diphenylthiourea molecular structure lightbox
CAS RN: 102-08-9

N,N’-Diphenylthiourea

Product Availability

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10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250909 100g In stock Inquiry
Batchno.20250815 2.5kg In stock Inquiry
Batchno.20251119 250g In stock Inquiry
Batchno.20250831 25g In stock Inquiry
Batchno.20250428 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250208 100g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20250215 10kg In stock Shanghai, Shandong Inquiry
Batchno.20250621 2.5kg In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250502 25g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250808 500g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: SSC-003166
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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: 500g
  • 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 102-08-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Hong Kong Inquiry

102-08-9 / 1,3-diphenylthiourea

Thiocarbanilide | N,N'-DIPHENYLTHIOUREA | 1,3-Diphenyl-2-thiourea

Standard CAS: 102-08-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
102-08-9
Multi CAS
Yes
Molecular Formula
C13H12N2S
Molecular Weight
228.310000
Exact Mass
228.072120
SMILES
C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
InChIKey
FCSHMCFRCYZTRQ-UHFFFAOYSA-N
Synonyms
Thiocarbanilide N,N'-DIPHENYLTHIOUREA 1,3-Diphenyl-2-thiourea Diphenylthiourea Thiourea, N,N'-diphenyl-

Physical Properties

Melting Point
309 °F (NTP, 1992) 154 °C
Boiling Point
Decomposes (NTP, 1992) BP: DECOMP
Density
1.32 (NTP, 1992) - Denser than water; will sink 1.32
Physical Description
Thiocarbanilide is a white to off-white powder. (NTP, 1992) Dry Powder White to grey solid; [HSDB] White powder
Appearance
CRYSTALLINE LEAFLETS GRAY POWDER WHITE TO FAINT GRAY POWDER
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
72.73
TPSA
24.06

LogP / Solubility

WLOGP
3.5
MLOGP
3.08
XLogP3
2.2
Consensus LogP
2.93
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H300 (17.3%): Fatal if swallowed [Danger Acute toxicity, oral] H317 (79.8%): May cause an allergic skin reaction [Warning Sensitization, Skin] H361d (56.9%): Suspected of damaging the unborn child [Warning Reproductive toxicity] H373 (66.1%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H411 (66.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P318, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501

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