| CAS Number | 26842-65-9 |
| Catalog Number | AG01AFSW(AGN-PC-0JSCAC) |
| Chemical Name | 3-(Methylsulfanyl)prop-1-yne |
| IUPAC Name | 3-methylsulfanylprop-1-yne |
| InChI | InChI=1S/C4H6S/c1-3-4-5-2/h1H,4H2,2H3 |
| InChI Key | YTXIGMLQHXRSEC-UHFFFAOYSA-N |
| MDL Number | MFCD00041334 |
| Molecular Formula | C4H6S |
| Molecular Weight | 86.1554 |
| SMILES | C#CCSC |
| Synonyms | 3-(methylsulfanyl)prop-1-yne,
2-thia-4-pentyne,
26842-65-9,
YTXIGMLQHXRSEC-UHFFFAOYSA-N,
Methyl propargyl sulfide,
methyl propargyl sulphide,
Methylpropargyl sulfide,
propargyl methyl sulfide,
AC1LB0KQ,
3-(methylsulfanyl)propyne,
methyl 2-propynyl sulfide,
3-methylsulfanylprop-1-yne,
ZINC32163098,
AKOS010598675,
NE46975,
CID525424,
|
| Complexity | 47.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 86.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 5 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 86.152g/mol |
| Monoisotopic Mass | 86.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number