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CAS 31555-59-6 5-METHYL-THIOPHENE-2-CARBONYL CHLORIDE molecular structure lightbox
CAS RN: 31555-59-6

5-METHYL-THIOPHENE-2-CARBONYL CHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS31555-59-6
  • Purity/Analytical Methods: >99.0%
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31555-59-6 / 5-methylthiophene-2-carbonyl chloride

Standard CAS: 31555-59-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31555-59-6
Multi CAS
Yes
Molecular Formula
C6H5CLOS
Molecular Weight
160.620000
Exact Mass
159.974964
InChI
InChI=1S/C6H5ClOS/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3
InChIKey
DJCGIWVUKCNCAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.24
TPSA
17.07

LogP / Solubility

WLOGP
2.44
MLOGP
2.14
XLogP3
2.8
Consensus LogP
2.46
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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