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CAS 103011-38-7 3-(1,3-DIOXOLAN-2-YL)THIOPHENE-2-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 103011-38-7

3-(1,3-DIOXOLAN-2-YL)THIOPHENE-2-SULFONYL CHLORIDE

  • Product code: SSC-004436
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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 103011-38-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

103011-38-7 / 3-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl chloride

3-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl Chloride | DTXSID00441494 | RefChem:273140

Standard CAS: 103011-38-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103011-38-7
Multi CAS
No
Molecular Formula
C7H7ClO4S2
Molecular Weight
254.700000
Exact Mass
253.947429
SMILES
C1COC(O1)C2=C(SC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C7H7ClO4S2/c8-14(9,10)7-5(1-4-13-7)6-11-2-3-12-6/h1,4,6H,2-3H2
InChIKey
RRTOURREASJQSR-UHFFFAOYSA-N
Synonyms
3-(1,3-dioxolan-2-yl)thiophene-2-sulfonyl Chloride DTXSID00441494 RefChem:273140 DTXCID40392315 874-759-9

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
52
TPSA
52.6

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.4
Consensus LogP
1.55
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-3.05

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

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

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