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CAS 1340127-12-9 2-Chloro-6-(Methylthio)benzeneMethanol molecular structure lightbox
CAS RN: 1340127-12-9

2-Chloro-6-(Methylthio)benzeneMethanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260428 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1340127-12-9
  • Purity/Analytical Methods: >99.0%
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1340127-12-9 / (2-chloro-6-methylsulfanylphenyl)methanol

Standard CAS: 1340127-12-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1340127-12-9
Multi CAS
No
Molecular Formula
C8H9ClOS
Molecular Weight
188.670000
Exact Mass
188.006264
SMILES
CSC1=C(C(=CC=C1)Cl)CO
InChI
InChI=1S/C8H9ClOS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4,10H,5H2,1H3
InChIKey
MDOOEIYIUANSRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.16
TPSA
20.23

LogP / Solubility

WLOGP
2.55
MLOGP
2.25
XLogP3
2.2
Consensus LogP
2.33
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-2.06

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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