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CAS 1015-38-9 DIPHENYLDITHIOPHOSPHONIC ACID molecular structure lightbox
CAS RN: 1015-38-9

DIPHENYLDITHIOPHOSPHONIC ACID

  • Product code: SSC-002332
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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 1015-38-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1015-38-9 / diphenyl-sulfanyl-sulfanylidene-lambda5-phosphane

P,P-Diphenylphosphinodithioic acid | DTXSID701296960 | RefChem:1094128

Standard CAS: 1015-38-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1015-38-9
Multi CAS
Yes
Molecular Formula
C12H11PS2
Molecular Weight
250.300000
Exact Mass
250.003980
SMILES
C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)S
InChI
InChI=1S/C12H11PS2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKey
CLUOCCWZZAGLPM-UHFFFAOYSA-N
Synonyms
P,P-Diphenylphosphinodithioic acid DTXSID701296960 RefChem:1094128 DTXCID30208698 Diphenylphosphinodithioic acid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
75.42
TPSA
33.1000

LogP / Solubility

WLOGP
2.96
MLOGP
2.61
XLogP3
4.7
Consensus LogP
3.42
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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