CAS RN: 1003-31-2
2-Cyanothiophene
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: SSC-000753
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 4 In Stock | Beijing | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
1003-31-2 / thiophene-2-carbonitrile
2-Thiophenecarbonitrile | Thiophene-2-carbonitrile | 2-Thenylcyanide
Basic Information
CAS
1003-31-2
Multi CAS
Yes
Molecular Formula
C5H3NS
Molecular Weight
109.150000
Exact Mass
108.998620
SMILES
C1=CSC(=C1)C#N
InChI
InChI=1S/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H
InChIKey
CUPOOAWTRIURFT-UHFFFAOYSA-N
Synonyms
2-Thiophenecarbonitrile
Thiophene-2-carbonitrile
2-Thenylcyanide
EINECS 213-706-0
CUPOOAWTRIURFT-UHFFFAOYSA-
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
2
Molar refractivity
29.03
TPSA
23.79
LogP / Solubility
WLOGP
1.62
MLOGP
1.41
XLogP3
1.3
Consensus LogP
1.44
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
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)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Flammable
Corrosive
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H226 (92%): Flammable liquid and vapor [Warning Flammable liquids]
H301 (10%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (88%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (12%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
