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CAS 2954-52-1 5-PROPYL-2-THIOURACIL molecular structure lightbox
CAS RN: 2954-52-1

5-PROPYL-2-THIOURACIL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260109 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2954-52-1
  • Purity/Analytical Methods: >99.0%
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2954-52-1 / 5-propyl-2-sulfanylidene-1H-pyrimidin-4-one

Standard CAS: 2954-52-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2954-52-1
Multi CAS
Yes
Molecular Formula
C7H10N2OS
Molecular Weight
170.230000
Exact Mass
170.051384
InChI
InChI=1S/C7H10N2OS/c1-2-3-5-4-8-7(11)9-6(5)10/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKey
RWJRFPUNLXBCML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.24
TPSA
48.65

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
1
Consensus LogP
1.2
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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)
-2.78

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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