| CAS Number | 64902-33-6 |
| Catalog Number | AG01B1AE(AGN-PC-00JVS5) |
| Chemical Name | Thiophene-2-sulfonyl isocyanate |
| IUPAC Name | N-(oxomethylidene)thiophene-2-sulfonamide |
| InChI | InChI=1S/C5H3NO3S2/c7-4-6-11(8,9)5-2-1-3-10-5/h1-3H |
| InChI Key | JBPHCEHVHVSGEP-UHFFFAOYSA-N |
| MDL Number | MFCD00792665 |
| Molecular Formula | C5H3NO3S2 |
| Molecular Weight | 189.2122 |
| SMILES | O=C=NS(C1SC=CC=1)(=O)=O |
| Synonyms | thiophene-2-sulfonyl isocyanate,
64902-33-6,
2-thiophenesulfonylisocyanate,
2-Thiophenesulfonyl isocyanate,
SCHEMBL3255684,
thiophen-2-yl-sulfonyl isocyanate,
JBPHCEHVHVSGEP-UHFFFAOYSA-N,
ZINC39321804,
NE21500,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.203g/mol |
| Monoisotopic Mass | 188.955g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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