| CAS Number | 737000-86-1 |
| Catalog Number | AG003CH0 |
| Chemical Name | (S)-(+)-2-Nonyl isothiocyanate |
| IUPAC Name | (2S)-2-isothiocyanatononane |
| InChI | InChI=1S/C10H19NS/c1-3-4-5-6-7-8-10(2)11-9-12/h10H,3-8H2,1-2H3/t10-/m0/s1 |
| InChI Key | MQPOQQFZEYBCRM-JTQLQIEISA-N |
| MDL Number | MFCD04039335 |
| Molecular Formula | C10H19NS |
| Molecular Weight | 185.3296 |
| SMILES | CCCCCCC[C@H](C)N=C=S |
| Synonyms | (S)-(+)-2-Nonyl isothiocyanate,
737000-86-1,
MFCD04039335,
(2S)-2-isothiocyanatononane,
DTXSID90704828,
ZINC2525815,
KM1566,
BP-12880,
OR322589,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.329g/mol |
| Monoisotopic Mass | 185.124g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
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Hazard Class
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\N
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Hazard statements
|
H302-H312-H314-H318-H331
|
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Packing Group
|
|
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Precautionary statements
|
P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
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|
UN Code
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\N
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Certificate of Analysis
Lot Number