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CAS 1438-91-1 Furfuryl Methyl Sulfide molecular structure lightbox
CAS RN: 1438-91-1

Furfuryl Methyl Sulfide

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251119 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251118 100g Out of stock Inquiry
Batchno.20260209 25g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260401 500g In stock Shanghai Inquiry
Batchno.20251226 5g In stock Shanghai Inquiry
  • Product code: ICTF0245
  • Purity/Analytical Methods: >98.0%(GC)
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1438-91-1 / 2-(methylsulfanylmethyl)furan

Standard CAS: 1438-91-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1438-91-1
Multi CAS
No
Molecular Formula
C6H8OS
Molecular Weight
128.190000
Exact Mass
128.029586
SMILES
CSCC1=CC=CO1
InChI
InChI=1S/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H3
InChIKey
SKSFHXVDHVKIBN-UHFFFAOYSA-N

Physical Properties

Boiling Point
64.00 to 65.00 °C. @ 15.00 mm Hg
Density
1.082-1.089 (20°)
Physical Description
Colourless to pale brown liquid; cooked onion-garlic-radish-mustard notes in dilution, strong sulfuraceous, coffee-like
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
35.93
TPSA
13.14

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
1.6
Consensus LogP
1.87
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-1.98

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 (89.5%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (98.1%): 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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