| CAS Number | 13373-97-2 |
| Catalog Number | AG003PWZ(AGN-PC-0JMQQ5) |
| Chemical Name | ECT |
| EC Number | 603-761-2 |
| IUPAC Name | icosane-1-thiol |
| InChI | InChI=1S/C20H42S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3 |
| InChI Key | YYHYWOPDNMFEAV-UHFFFAOYSA-N |
| MDL Number | MFCD07779406 |
| Molecular Formula | C20H42S |
| Molecular Weight | 314.6125 |
| SMILES | CCCCCCCCCCCCCCCCCCCCS |
| Synonyms | 1-Eicosanethiol,
13373-97-2,
Eicosyl Mercaptan,
eicosanethiol,
icosane-1-thiol,
MFCD07779406,
1-icosanethiol,
Icosyl Mercaptan,
ACMC-209btf,
AC1L3EVD,
SCHEMBL271560,
CTK0I1807,
DTXSID70158345,
ANW-19585,
ZINC60274166,
AKOS025396826,
TC-108330,
E0832,
I14-59252,
CID139443,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.301g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.616g/mol |
| Monoisotopic Mass | 314.301g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 10.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard statements
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H315-H319
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Precuationary statements
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P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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Siginal words
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Certificate of Analysis
Lot Number