[email protected]
CAS 1185148-20-2 2-BROMO-3-METHYLTHIOPHENE-D3 molecular structure lightbox
CAS RN: 1185148-20-2

2-BROMO-3-METHYLTHIOPHENE-D3

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250915 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1185148-20-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1185148-20-2 / 2-bromo-3-(trideuteriomethyl)thiophene

2-Bromo-3-methylthiophene-d3 | 2-Bromo-3-(trideuteriomethyl)thiophene | 2-Bromo-3-(methyl-d3)thiophene

Standard CAS: 1185148-20-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1185148-20-2
Multi CAS
Yes
Molecular Formula
C5H5BrS
Molecular Weight
180.080000
Exact Mass
178.948360
SMILES
[2H]C([2H])([2H])C1=C(SC=C1)Br
InChI
InChI=1S/C5H5BrS/c1-4-2-3-7-5(4)6/h2-3H,1H3/i1D3
InChIKey
YYJBWYBULYUKMR-FIBGUPNXSA-N
Synonyms
2-Bromo-3-methylthiophene-d3 2-Bromo-3-(trideuteriomethyl)thiophene 2-Bromo-3-(methyl-d3)thiophene AKOS015942297 CS-17762

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
1
Molar refractivity
36.76
TPSA
28.2000

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
3
Consensus LogP
2.77
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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)
-1.8

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us