[email protected]
CAS 1314907-49-7 3,3-Difluoro-propane-1-sulfonyl chloride molecular structure lightbox
CAS RN: 1314907-49-7

3,3-Difluoro-propane-1-sulfonyl chloride

  • Product code: SSC-038519
GET A QUOTE
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
Request Bulk Quote

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 1314907-49-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1314907-49-7 / 3,3-difluoropropane-1-sulfonyl chloride

Standard CAS: 1314907-49-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1314907-49-7
Multi CAS
No
Molecular Formula
C3H5ClF2O2S
Molecular Weight
178.590000
Exact Mass
177.966685
SMILES
C(CS(=O)(=O)Cl)C(F)F
InChI
InChI=1S/C3H5ClF2O2S/c4-9(7,8)2-1-3(5)6/h3H,1-2H2
InChIKey
YOACIDRNEANCHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
30.26
TPSA
34.14

LogP / Solubility

WLOGP
1.21
MLOGP
1.06
XLogP3
1.6
Consensus LogP
1.29
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
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)
-2.95

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us