| CAS Number | 61528-50-5 |
| Catalog Number | AG00EL40(AGN-PC-0NIP2F) |
| Chemical Name | 3-Isothiocyanatothiophene |
| IUPAC Name | 3-isothiocyanatothiophene |
| InChI | InChI=1S/C5H3NS2/c7-4-6-5-1-2-8-3-5/h1-3H |
| InChI Key | LOATUYXBISJSMP-UHFFFAOYSA-N |
| MDL Number | MFCD17168965 |
| Molecular Formula | C5H3NS2 |
| Molecular Weight | 141.2140 |
| SMILES | S=C=NC1=CSC=C1 |
| Synonyms | 3-isothiocyanatothiophene,
61528-50-5,
3-thienyl isothiocyanate,
Thiophene, 3-isothiocyanato-,
SCHEMBL2171813,
CTK2D8200,
DTXSID90493023,
ZINC39212418,
AKOS014316230,
NE24124,
FT-0705099,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.206g/mol |
| Monoisotopic Mass | 140.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 72.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number