[email protected]
CAS 109-57-9 N-Allylthiourea molecular structure lightbox
CAS RN: 109-57-9

N-Allylthiourea

Product Availability

Choose a grade to view its available package options.

13 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250830 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260324 100g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260605 100g In stock Shenzhen Inquiry
Batchno.20250507 10g Out of stock Inquiry
Batchno.20250923 1kg In stock Shenzhen, Tianjin Inquiry
Batchno.20260201 2.5kg In stock Shanghai Inquiry
Batchno.20260204 25g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250616 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250505 500g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20260531 500g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250215 100g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250531 2.5kg Out of stock 5-7 business days Inquiry
Batchno.20251220 500g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: SSC-010190
GET A QUOTE
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: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 109-57-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

109-57-9 / prop-2-enylthiourea

ALLYLTHIOUREA | N-Allylthiourea | Thiosinamine

Standard CAS: 109-57-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
109-57-9
Multi CAS
Yes
Molecular Formula
C4H8N2S
Molecular Weight
116.190000
Exact Mass
116.040819
SMILES
C=CCNC(=S)N
InChI
InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
InChIKey
HTKFORQRBXIQHD-UHFFFAOYSA-N
Synonyms
ALLYLTHIOUREA N-Allylthiourea Thiosinamine 1-Allyl-2-thiourea 1-Allylthiourea

Physical Properties

Melting Point
158 to 172 °F (NTP, 1992)
Density
1.11 to 1.22 (NTP, 1992)
Physical Description
Allylthiourea is a white crystalline solid with a slight garlic odor. (NTP, 1992)
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
34.99
TPSA
38.05

LogP / Solubility

WLOGP
0.01
MLOGP
-0.01
XLogP3
0.2
Consensus LogP
0.07
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very 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)
-3.42

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (99.5%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us