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CAS 13623-94-4 1,1-Bis(methylthio)-2-nitroethylene molecular structure lightbox
CAS RN: 13623-94-4

1,1-Bis(methylthio)-2-nitroethylene

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250603 100g In stock Shanghai Inquiry
Batchno.20260618 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250105 500g In stock Shandong Inquiry
Batchno.20260608 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-045163
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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: 5g, 10g, 25g, 100g
  • 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 13623-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

13623-94-4 / 1,1-bis(methylsulfanyl)-2-nitroethene

Standard CAS: 13623-94-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13623-94-4
Multi CAS
No
Molecular Formula
C4H7NO2S2
Molecular Weight
165.200000
Exact Mass
164.991821
SMILES
CSC(=C[N+](=O)[O-])SC
InChI
InChI=1S/C4H7NO2S2/c1-8-4(9-2)3-5(6)7/h3H,1-2H3
InChIKey
NXGHEDHQXXXTTP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
42.11
TPSA
43.14

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
1.6
Consensus LogP
1.65
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.46

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Applications of CAS 13623-94-4

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 13623-94-4 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Physical & Chemical Properties

IUPAC Name1,1-bis(methylsulfanyl)-2-nitroethene

Safety Information (GHS)

Pictogram(s): GHS07. Signal word: Warning.

Precautionary statements: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Request the SDS (Safety Data Sheet) for full hazard and safety documentation.

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.

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