![CAS 1060817-61-9 5-[(methylamino)carbonyl]-3-thiophenesulfonyl chloride(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1060817-61-9.gif)
CAS RN: 1060817-61-9
5-[(methylamino)carbonyl]-3-thiophenesulfonyl chloride(SALTDATA: FREE)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251120 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-007916
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: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1060817-61-9 / 5-(methylcarbamoyl)thiophene-3-sulfonyl chloride
5-(methylcarbamoyl)thiophene-3-sulfonyl chloride | DTXSID30672456 | RefChem:531391
Basic Information
CAS
1060817-61-9
Multi CAS
No
Molecular Formula
C6H6ClNO3S2
Molecular Weight
239.700000
Exact Mass
238.947763
SMILES
CNC(=O)C1=CC(=CS1)S(=O)(=O)Cl
InChI
InChI=1S/C6H6ClNO3S2/c1-8-6(9)5-2-4(3-12-5)13(7,10)11/h2-3H,1H3,(H,8,9)
InChIKey
IDELKMMSLSKSLV-UHFFFAOYSA-N
Synonyms
5-(methylcarbamoyl)thiophene-3-sulfonyl chloride
DTXSID30672456
RefChem:531391
DTXCID70623205
5-[(METHYLAMINO)CARBONYL]-3-THIOPHENESULFONYL CHLORIDE
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.75
TPSA
63.24
LogP / Solubility
WLOGP
1.04
MLOGP
0.92
XLogP3
1.2
Consensus LogP
1.05
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501
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