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CAS 1212-29-9 1,3-Dicyclohexylthiourea molecular structure lightbox
CAS RN: 1212-29-9

1,3-Dicyclohexylthiourea

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250124 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260505 25g In stock Chengdu Inquiry
Batchno.20250127 5g In stock Tianjin, Chengdu Inquiry
  • Product code: SSC-022939
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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: 100g
  • 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 1212-29-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

1212-29-9 / 1,3-dicyclohexylthiourea

N,N'-DICYCLOHEXYLTHIOUREA | 1,3-Dicyclohexyl-2-thiourea | 1,3-Bis(cyclohexyl)thiourea

Standard CAS: 1212-29-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1212-29-9
Multi CAS
Yes
Molecular Formula
C13H24N2S
Molecular Weight
240.410000
Exact Mass
240.166020
SMILES
C1CCC(CC1)NC(=S)NC2CCCCC2
InChI
InChI=1S/C13H24N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
InChIKey
KAJICSGLHKRDLN-UHFFFAOYSA-N
Synonyms
N,N'-DICYCLOHEXYLTHIOUREA 1,3-Dicyclohexyl-2-thiourea 1,3-Bis(cyclohexyl)thiourea Sym-dicyclohexythiourea sym-Dicyclohexylthiourea

Physical Properties

Physical Description
N,n'-dicyclohexylthiourea appears as white crystals. (NTP, 1992) White solid; [CAMEO] White odorless crystalline powder
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should keep this material in a tightly closed container under an inert atmosphere, and store it at refrigerated temperatures. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
72.62
TPSA
24.06

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
3.6
Consensus LogP
3.16
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-1.97

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral] H413 (86.4%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, and P501

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