5-[(Methylamino)carbonyl]-3-thiophenesulfonyl chloride - CAS 1060817-61-9
Catalog: |
BB001818 |
Product Name: |
5-[(Methylamino)carbonyl]-3-thiophenesulfonyl chloride |
CAS: |
1060817-61-9 |
Synonyms: |
5-(methylcarbamoyl)thiophene-3-sulfonyl chloride |
IUPAC Name: | 5-(methylcarbamoyl)thiophene-3-sulfonyl chloride |
Description: | 5-[(Methylamino)carbonyl]-3-thiophenesulfonyl chloride (CAS# 1060817-61-9) is a useful research chemical. |
Molecular Weight: | 239.70 |
Molecular Formula: | C6H6ClNO3S2 |
Canonical 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) |
InChI Key: | IDELKMMSLSKSLV-UHFFFAOYSA-N |
LogP: | 2.50690 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.9477631 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.9477631 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 99.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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