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CAS 263169-14-8 ISOBUTYL(METHYL)SULFAMOYL CHLORIDE molecular structure lightbox
CAS RN: 263169-14-8

ISOBUTYL(METHYL)SULFAMOYL CHLORIDE

  • Product code: SSC-123702
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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: 0.1g
  • 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 263169-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

263169-14-8 / N-methyl-N-(2-methylpropyl)sulfamoyl chloride

Standard CAS: 263169-14-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263169-14-8
Multi CAS
No
Molecular Formula
C5H12ClNO2S
Molecular Weight
185.670000
Exact Mass
185.027728
SMILES
CC(C)CN(C)S(=O)(=O)Cl
InChI
InChI=1S/C5H12ClNO2S/c1-5(2)4-7(3)10(6,8)9/h5H,4H2,1-3H3
InChIKey
BSJMWAIBHXXHJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
42.24
TPSA
37.38

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1.6
Consensus LogP
1.2
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
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)
-3.1

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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