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CAS 3807-38-3 3-thiophen-3-ylsulfanyl-thiophene molecular structure lightbox
CAS RN: 3807-38-3

3-thiophen-3-ylsulfanyl-thiophene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260516 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LINT889052
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3807-38-3 / 3-thiophen-3-ylsulfanylthiophene

Standard CAS: 3807-38-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3807-38-3
Multi CAS
No
Molecular Formula
C8H6S3
Molecular Weight
198.300000
Exact Mass
197.963164
InChI
InChI=1S/C8H6S3/c1-3-9-5-7(1)11-8-2-4-10-6-8/h1-6H
InChIKey
NNPKTEYAZSRKAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.76
TPSA
81.8000

LogP / Solubility

WLOGP
3.96
MLOGP
3.49
XLogP3
3.4
Consensus LogP
3.62
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12

Drug-likeness / Medicinal Chemistry

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

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