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CAS 15022-18-1 1-(2-thienyl)acetone(SALTDATA: FREE) molecular structure lightbox
CAS RN: 15022-18-1

1-(2-thienyl)acetone(SALTDATA: FREE)

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250531 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260628 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS15022-18-1
  • Purity/Analytical Methods: >99.0%
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15022-18-1 / 1-thiophen-2-ylpropan-2-one

Standard CAS: 15022-18-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15022-18-1
Multi CAS
No
Molecular Formula
C7H8OS
Molecular Weight
140.200000
Exact Mass
140.029586
SMILES
CC(=O)CC1=CC=CS1
InChI
InChI=1S/C7H8OS/c1-6(8)5-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKey
FOWXQMONAFWJAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
38.7
TPSA
17.07

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.4
Consensus LogP
1.64
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.24

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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