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CAS 1207346-29-9 Tetrahydrofuran-3-sulfonyl chloride molecular structure lightbox
CAS RN: 1207346-29-9

Tetrahydrofuran-3-sulfonyl chloride

  • Product code: SSC-021935
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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: ＞97%
  • 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 1207346-29-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1207346-29-9 / oxolane-3-sulfonyl chloride

oxolane-3-sulfonyl chloride | DTXSID10678491 | RefChem:367487

Standard CAS: 1207346-29-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1207346-29-9
Multi CAS
No
Molecular Formula
C4H7ClO3S
Molecular Weight
170.620000
Exact Mass
169.980443
SMILES
C1COCC1S(=O)(=O)Cl
InChI
InChI=1S/C4H7ClO3S/c5-9(6,7)4-1-2-8-3-4/h4H,1-3H2
InChIKey
MVZIUOJNVVIOEY-UHFFFAOYSA-N
Synonyms
oxolane-3-sulfonyl chloride DTXSID10678491 RefChem:367487 DTXCID50629240 691-138-6

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
34
TPSA
43.37

LogP / Solubility

WLOGP
0.34
MLOGP
0.3
XLogP3
0.4
Consensus LogP
0.35
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
Class (SILICOS-IT)
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)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger Warning
GHS Hazard Statements
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 P264, P270, P301+P317, P330, and P501

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