| CAS Number | 13702-09-5 |
| Catalog Number | AG0012QL(AGN-PC-0JS8KK) |
| Chemical Name | Dipropargyl sulfide |
| IUPAC Name | 3-prop-2-ynylsulfanylprop-1-yne |
| InChI | InChI=1S/C6H6S/c1-3-5-7-6-4-2/h1-2H,5-6H2 |
| InChI Key | XPTMJJIPRSWBDK-UHFFFAOYSA-N |
| MDL Number | MFCD00048109 |
| Molecular Formula | C6H6S |
| Molecular Weight | 110.1768 |
| SMILES | C#CCSCC#C |
| Synonyms | Dipropargyl sulfide,
propargyl sulfide,
13702-09-5,
3-(2-Propynylsulfanyl)-1-propyne,
3-prop-2-ynylsulfanylprop-1-yne,
AC1LAR8B,
4-thia-1,6-heptadiyne,
1-Propyne,3,3'-thiobis-,
SCHEMBL535083,
bis(prop-2-yn-1-yl) sulfide,
CTK4C0603,
DTXSID50333835,
XPTMJJIPRSWBDK-UHFFFAOYSA-N,
MFCD00048109,
ZINC32149392,
P2336,
CID518812,
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| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 110.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 110.174g/mol |
| Monoisotopic Mass | 110.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number