CAS RN: 51039-84-0
1-(2-NITROPHENYL)-2-THIOUREA
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260119 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS51039-84-0
- Purity/Analytical Methods: >99.0%
51039-84-0 / (2-nitrophenyl)thiourea
Basic Information
CAS
51039-84-0
Multi CAS
No
Molecular Formula
C7H7N3O2S
Molecular Weight
197.220000
Exact Mass
197.025898
InChI
InChI=1S/C7H7N3O2S/c8-7(13)9-5-3-1-2-4-6(5)10(11)12/h1-4H,(H3,8,9,13)
InChIKey
FLGZBEKWHFRZNP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.5
TPSA
81.19
LogP / Solubility
WLOGP
1.25
MLOGP
1.1
XLogP3
1
Consensus LogP
1.12
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04
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
