![CAS 182198-89-6 5-PHENYL-THIENO[2,3-D]PYRIMIDINE-4-THIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/182198-89-6.gif)
CAS RN: 182198-89-6
5-PHENYL-THIENO[2,3-D]PYRIMIDINE-4-THIOL
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.20260610 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS182198-89-6
- Purity/Analytical Methods: >99.0%
182198-89-6 / 5-phenyl-3H-thieno[2,3-d]pyrimidine-4-thione
Basic Information
CAS
182198-89-6
Multi CAS
No
Molecular Formula
C12H8N2S2
Molecular Weight
244.300000
Exact Mass
244.012891
SMILES
C1=CC=C(C=C1)C2=CSC3=C2C(=S)NC=N3
InChI
InChI=1S/C12H8N2S2/c15-11-10-9(8-4-2-1-3-5-8)6-16-12(10)14-7-13-11/h1-7H,(H,13,14,15)
InChIKey
LNOFOMVIGAWPSJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.24
TPSA
28.68
LogP / Solubility
WLOGP
4.02
MLOGP
3.54
XLogP3
2.9
Consensus LogP
3.49
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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