CAS RN: 175277-27-7
6-FORMYL-2-(METHYLSULFANYL)NICOTINONITRILE
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.20260111 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS175277-27-7
- Purity/Analytical Methods: >99.0%
175277-27-7 / 6-formyl-2-methylsulfanylpyridine-3-carbonitrile
Basic Information
CAS
175277-27-7
Multi CAS
No
Molecular Formula
C8H6N2OS
Molecular Weight
178.210000
Exact Mass
178.020084
SMILES
CSC1=C(C=CC(=N1)C=O)C#N
InChI
InChI=1S/C8H6N2OS/c1-12-8-6(4-9)2-3-7(5-11)10-8/h2-3,5H,1H3
InChIKey
UBGVOMZGBKLUOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
46.12
TPSA
53.75
LogP / Solubility
WLOGP
1.49
MLOGP
1.31
XLogP3
1.2
Consensus LogP
1.33
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.75
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
Customers Also Viewed
-
-
1-(1H-PYRAZOL-5-YL)ETHAN-1-ONE HYDROCHLORIDE
- CAS RN: 175277-40-4
- Product Code: SSC-076912
-
5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXAMIDE OXIME
- CAS RN: 175277-44-8
- Product Code: SSC-076913
-
-
5-TRIFLUOROMETHYL-PYRIDINE-2-CARBOXAMIDINE HCL
- CAS RN: 175277-48-2
- Product Code: SSC-076915
-
