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CAS 15199-43-6 DIMETHYL-D6 SULFATE molecular structure lightbox
CAS RN: 15199-43-6

DIMETHYL-D6 SULFATE

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250516 1g In stock Inquiry
Batchno.20251222 250mg Out of stock Inquiry
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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250630 200mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS15199-43-6
  • Purity/Analytical Methods: >99.0%
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15199-43-6 / bis(trideuteriomethyl) sulfate

Standard CAS: 15199-43-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15199-43-6
Multi CAS
No
Molecular Formula
C2H6O4S
Molecular Weight
132.170000
Exact Mass
132.036340
SMILES
[2H]C([2H])([2H])OS(=O)(=O)OC([2H])([2H])[2H]
InChI
InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3/i1D3,2D3
InChIKey
VAYGXNSJCAHWJZ-WFGJKAKNSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
22.94
TPSA
52.6

LogP / Solubility

WLOGP
-0.48
MLOGP
-0.43
XLogP3
-0.3
Consensus LogP
-0.4
Log S (ESOL)
-0.19
Class (ESOL)
Very soluble
Log S (Ali)
-0.25
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.32
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.83

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)
Corrosive Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation] H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
Precautionary Statement Codes
P203, P260, P261, P264, P270, P271, P272, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P320, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501

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