| CAS Number | 5755-56-6 |
| Catalog Number | AG01A4KB(AGN-PC-0NIGUJ) |
| Chemical Name | 3-(Tert-butylsulfanyl)propan-1-ol |
| IUPAC Name | 3-tert-butylsulfanylpropan-1-ol |
| InChI | InChI=1S/C7H16OS/c1-7(2,3)9-6-4-5-8/h8H,4-6H2,1-3H3 |
| InChI Key | GDDMGWCYODCSIR-UHFFFAOYSA-N |
| MDL Number | MFCD12178179 |
| Molecular Formula | C7H16OS |
| Molecular Weight | 148.2663 |
| SMILES | CC(SCCCO)(C)C |
| Synonyms | 3-(tert-butylsulfanyl)propan-1-ol,
5755-56-6,
SCHEMBL6999900,
CTK1F1765,
DTXSID10486396,
ZINC35101758,
AKOS008954563,
NE17753,
1-Propanol, 3-[(1,1-dimethylethyl)thio]-,
3-(tert-butylthio)propan-1-ol,
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| Complexity | 65.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.264g/mol |
| Monoisotopic Mass | 148.092g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number