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CAS 13431-39-5 4-TERT-BUTYL-3-THIOSEMICARBAZIDE molecular structure lightbox
CAS RN: 13431-39-5

4-TERT-BUTYL-3-THIOSEMICARBAZIDE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250304 1g In stock Shanghai Inquiry
Batchno.20250412 250mg In stock Shanghai Inquiry
Batchno.20250514 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20260618 5g In stock Shanghai Inquiry
  • Product code: SSC-041888
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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: ≥95%
  • 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 13431-39-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

13431-39-5 / 1-amino-3-tert-butylthiourea

Standard CAS: 13431-39-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13431-39-5
Multi CAS
No
Molecular Formula
C5H13N3S
Molecular Weight
147.240000
Exact Mass
147.083019
SMILES
CC(C)(C)NC(=S)NN
InChI
InChI=1S/C5H13N3S/c1-5(2,3)7-4(9)8-6/h6H2,1-3H3,(H2,7,8,9)
InChIKey
ZUWRCNZOBNETMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
42.81
TPSA
50.08

LogP / Solubility

WLOGP
0.12
MLOGP
0.1
XLogP3
0.2
Consensus LogP
0.14
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
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)
-3.53

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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