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CAS 1192-52-5 Dichloro-1,2-dithiacyclopentenone molecular structure lightbox
CAS RN: 1192-52-5

Dichloro-1,2-dithiacyclopentenone

  • Product code: SSC-019685
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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: 10g, 5g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 1192-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 5 In Stock Shenzhen Inquiry
5g ≥97% 2 In Stock Hong Kong Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

1192-52-5 / 4,5-dichlorodithiol-3-one

4,5-Dichloro-3H-1,2-dithiol-3-one | 4,5-Dichloro-1,2-dithiol-3-one | 4,5-Dichloro-3-oxo-1,2-dithiole

Standard CAS: 1192-52-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1192-52-5
Multi CAS
Yes
Molecular Formula
C3Cl2OS2
Molecular Weight
187.100000
Exact Mass
185.876762
SMILES
C1(=C(SSC1=O)Cl)Cl
InChI
InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6
InChIKey
QGSRKGWCQSATCL-UHFFFAOYSA-N
Synonyms
4,5-Dichloro-3H-1,2-dithiol-3-one 4,5-Dichloro-1,2-dithiol-3-one 4,5-Dichloro-3-oxo-1,2-dithiole 4,5-Dichloro-1,2-dithiacyclopentenone 4,5-Dichloro-3H-1,2-dithiole-3-one

Physical Properties

Melting Point
61 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
H-bond acceptors
3
Molar refractivity
38.49
TPSA
17.07

LogP / Solubility

WLOGP
2.48
MLOGP
2.18
XLogP3
2.2
Consensus LogP
2.29
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.1

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)
Acute Toxic Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501

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