| CAS Number | 28983-37-1 |
| Catalog Number | AG002V3J(AGN-PC-0R4QXF) |
| Chemical Name | tert-Tetradecanethiol |
| EC Number | 249-351-3 |
| IUPAC Name | 2-methyltridecane-2-thiol |
| InChI | InChI=1S/C14H30S/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h15H,4-13H2,1-3H3 |
| InChI Key | LMDDHLWHSDZGIH-UHFFFAOYSA-N |
| MDL Number | MFCD00041145 |
| Molecular Formula | C14H30S |
| Molecular Weight | 230.4530 |
| SMILES | CCCCCCCCCCCC(C)(C)S |
| Synonyms | tert-Tetradecanethiol,
28983-37-1,
2-methyltridecane-2-thiol,
tert-Tetradecanethiol (mixture of isomers),
t-tetradecanethiol,
tert-Tetradecyl mercaptan,
SCHEMBL51185,
I14-91847,
EINECS 249-351-3,
C14-H30-S,
tert-TETRADECYL MERCAPTAN, TECH,
T0083,
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| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.207g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.454g/mol |
| Monoisotopic Mass | 230.207g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number