CAS 117377-79-4 N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide molecular structure

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CAS RN: 117377-79-4

N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide

Product code: SSC-017213

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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: 1g, 0.1g, 0.25g
Available purity: ≥95%
Inventory rows with stock: 1
Bulk packaging: confirmed by inquiry

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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 117377-79-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	3 In Stock	Shenzhen	Inquiry
0.1g	≥95%	0 Out of Stock	Shanghai	Inquiry
0.25g	≥95%	0 Out of Stock	Shenzhen	Inquiry

117377-79-4 / N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide | N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide | MFCD00714937

Standard CAS: 117377-79-4 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

117377-79-4

Multi CAS

Molecular Formula

C9H10N2OS

Molecular Weight

194.260000

Exact Mass

194.051384

SMILES

CC1=C(SC(=C1C#N)NC(=O)C)C

InChI

InChI=1S/C9H10N2OS/c1-5-6(2)13-9(8(5)4-10)11-7(3)12/h1-3H3,(H,11,12)

InChIKey

KQGQIJBFNSFSGQ-UHFFFAOYSA-N

Synonyms

N-(3-Cyano-4,5-dimethyl-2-thienyl)acetamide N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide MFCD00714937 Acetamide, N-(3-cyano-4,5-dimethyl-2-thienyl)- Cambridge id 5306046

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.33

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

52.81

TPSA

52.89

LogP / Solubility

WLOGP

2.2

MLOGP

1.93

XLogP3

2.1

Consensus LogP

2.08

Log S (ESOL)

-2.65

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.74

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.86

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.35

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 117377-79-4

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 117377-79-4 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.