[email protected]
CAS 1516-32-1 1-Butylthiourea molecular structure lightbox
CAS RN: 1516-32-1

1-Butylthiourea

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260330 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTB4971
  • Purity/Analytical Methods: >98.0%(N)
GET A QUOTE

1516-32-1 / butylthiourea

Standard CAS: 1516-32-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1516-32-1
Multi CAS
No
Molecular Formula
C5H12N2S
Molecular Weight
132.230000
Exact Mass
132.072120
SMILES
CCCCNC(=S)N
InChI
InChI=1S/C5H12N2S/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChIKey
GMEGXJPUFRVCPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
39.7
TPSA
38.05

LogP / Solubility

WLOGP
0.62
MLOGP
0.54
XLogP3
1
Consensus LogP
0.72
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
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)
-3.09

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 Irritant
Signal
Danger
GHS Hazard Statements
H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P301+P317, P321, P330, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us