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CAS 1983-27-3 CHLOROMETHYLPHOSPHONOTHIOIC DICHLORIDE molecular structure lightbox
CAS RN: 1983-27-3

CHLOROMETHYLPHOSPHONOTHIOIC DICHLORIDE

  • Product code: SSC-093444
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1983-27-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1983-27-3 / dichloro-(chloromethyl)-sulfanylidene-lambda5-phosphane

Standard CAS: 1983-27-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1983-27-3
Multi CAS
No
Molecular Formula
CH2Cl3PS
Molecular Weight
183.400000
Exact Mass
181.868041
SMILES
C(P(=S)(Cl)Cl)Cl
InChI
InChI=1S/CH2Cl3PS/c2-1-5(3,4)6/h1H2
InChIKey
HRHKZXIMFUYRDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.71
TPSA
32.1000

LogP / Solubility

WLOGP
2.97
MLOGP
2.61
XLogP3
3.4
Consensus LogP
2.99
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-1.73

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)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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