| CAS Number | 77213-88-8 |
| Catalog Number | AG005D5K(AGN-PC-0NJKIZ) |
| Chemical Name | 4-Pentyne-1-thiol |
| IUPAC Name | pent-4-yne-1-thiol |
| InChI | InChI=1S/C5H8S/c1-2-3-4-5-6/h1,6H,3-5H2 |
| InChI Key | ZKNNFPMQXFHRCN-UHFFFAOYSA-N |
| MDL Number | MFCD29039480 |
| Molecular Formula | C5H8S |
| Molecular Weight | 100.1820 |
| SMILES | SCCCC#C |
| Synonyms | 4-Pentyne-1-thiol,
PENT-4-YNE-1-THIOL,
77213-88-8,
SCHEMBL129908,
4-Pentyne-1-thiol (>90%),
CTK2G6721,
DTXSID10504064,
ZINC39252731,
FT-0673567,
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| Complexity | 57.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 100.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 100.179g/mol |
| Monoisotopic Mass | 100.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number