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CAS 1124382-96-2 ethyl {[(5-bromo-6-methylpyridin-2-yl)amino]carbonothioyl}carbamate molecular structure lightbox
CAS RN: 1124382-96-2

ethyl {[(5-bromo-6-methylpyridin-2-yl)amino]carbonothioyl}carbamate

  • Product code: SSC-012872
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1124382-96-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1124382-96-2 / ethyl N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]carbamate

Ethyl (((5-bromo-6-methylpyridin-2-yl)amino)carbonothioyl)carbamate | ethyl N-[(5-bromo-6-methylpyridin-2-yl)carbamothioyl]carbamate | MFCD28404769

Standard CAS: 1124382-96-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1124382-96-2
Multi CAS
No
Molecular Formula
C10H12BrN3O2S
Molecular Weight
318.190000
Exact Mass
316.983360
SMILES
CCOC(=O)NC(=S)NC1=NC(=C(C=C1)Br)C
InChI
InChI=1S/C10H12BrN3O2S/c1-3-16-10(15)14-9(17)13-8-5-4-7(11)6(2)12-8/h4-5H,3H2,1-2H3,(H2,12,13,14,15,17)
InChIKey
FEWIOOYDNPJMRQ-UHFFFAOYSA-N
Synonyms
Ethyl (((5-bromo-6-methylpyridin-2-yl)amino)carbonothioyl)carbamate ethyl N-[(5-bromo-6-methylpyridin-2-yl)carbamothioyl]carbamate MFCD28404769 C10H12BrN3O2S SCHEMBL12317134

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.05
TPSA
63.25

LogP / Solubility

WLOGP
2.6
MLOGP
2.3
XLogP3
3
Consensus LogP
2.63
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

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

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