CAS RN: 18945-81-8
5-Iodothiophene-2-carbonitrile
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260601 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250506 | 100mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251224 | 1g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry | |
| Batchno.20250219 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260123 | 5g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: LINI895034
18945-81-8 / 5-iodothiophene-2-carbonitrile
Basic Information
CAS
18945-81-8
Multi CAS
No
Molecular Formula
C5H2INS
Molecular Weight
235.050000
Exact Mass
234.895270
SMILES
C1=C(SC(=C1)I)C#N
InChI
InChI=1S/C5H2INS/c6-5-2-1-4(3-7)8-5/h1-2H
InChIKey
DCTRQPYCGCNWBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
H-bond acceptors
2
Molar refractivity
41.75
TPSA
23.79
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2.3
Consensus LogP
2.16
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly 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)
-2.57
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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