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CAS 21071-27-2 N-HEXYLTHIOUREA molecular structure lightbox
CAS RN: 21071-27-2

N-HEXYLTHIOUREA

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250920 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-100427
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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: ≥98%
  • 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 21071-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

21071-27-2 / hexylthiourea

Standard CAS: 21071-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21071-27-2
Multi CAS
No
Molecular Formula
C7H16N2S
Molecular Weight
160.280000
Exact Mass
160.103420
SMILES
CCCCCCNC(=S)N
InChI
InChI=1S/C7H16N2S/c1-2-3-4-5-6-9-7(8)10/h2-6H2,1H3,(H3,8,9,10)
InChIKey
LMYQWQCDUHNQLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
2
Molar refractivity
48.93
TPSA
38.05

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.9
Consensus LogP
1.51
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.46
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)
-2.7

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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