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CAS 1135-99-5 DIPHENYLTIN DICHLORIDE molecular structure lightbox
CAS RN: 1135-99-5

DIPHENYLTIN DICHLORIDE

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  • Product code: starshine_CAS1135-99-5
  • Purity/Analytical Methods: >99.0%
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1135-99-5 / dichloro(diphenyl)stannane

DIPHENYLTIN DICHLORIDE | Stannane, dichlorodiphenyl- | Dichlorodiphenyltin

Standard CAS: 1135-99-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1135-99-5
Multi CAS
Yes
Molecular Formula
C12H10Cl2Sn
Molecular Weight
343.800000
Exact Mass
343.918158
SMILES
C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(Cl)Cl
InChI
InChI=1S/2C6H5.2ClH.Sn/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
InChIKey
ISXUHJXWYNONDI-UHFFFAOYSA-L
Synonyms
DIPHENYLTIN DICHLORIDE Stannane, dichlorodiphenyl- Dichlorodiphenyltin Dichlorodiphenylstannane Diphenyltin chloride

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
Molar refractivity
69.61
TPSA
0.0000

LogP / Solubility

WLOGP
2.72
MLOGP
2.41
XLogP3
2.72
Consensus LogP
2.62
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (93.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (93.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (93.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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