| CAS Number | 1564616-21-2 |
| Catalog Number | AG01AUDA |
| Chemical Name | 3-(Cyclopropylsulfanyl)propan-1-ol |
| IUPAC Name | 3-cyclopropylsulfanylpropan-1-ol |
| InChI | InChI=1S/C6H12OS/c7-4-1-5-8-6-2-3-6/h6-7H,1-5H2 |
| InChI Key | BXDKCBRSFPCUPM-UHFFFAOYSA-N |
| MDL Number | MFCD26832304 |
| Molecular Formula | C6H12OS |
| Molecular Weight | 132.2239 |
| SMILES | OCCCSC1CC1 |
| Synonyms | 3-(cyclopropylsulfanyl)propan-1-ol,
1564616-21-2,
3-(Cyclopropylthio)propan-1-ol,
SCHEMBL15577392,
BXDKCBRSFPCUPM-UHFFFAOYSA-N,
ZINC146750907,
A1-10232,
|
| Complexity | 61.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.221g/mol |
| Monoisotopic Mass | 132.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number