Formula |
C15H20O2S |
IUPAC Name |
2-(1-benzylsulfanylcyclohexyl)acetic acid |
Molecular Mass |
264.383 g·mol−1 |
Heat of Formation |
-407.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.58 ± 1.08 D |
Volume |
326.1 Å 3 |
Surface Area |
266.7 Å 2 |
HOMO Energy |
-8.55 ± 0.55 eV |
LUMO Energy |
-0.06 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[1-(benzylthio)cyclohexyl]acetic acid
- 2-[1-(phenylmethylsulfanyl)cyclohexyl]acetic acid
- 2-[1-(phenylmethylsulfanyl)cyclohexyl]ethanoic acid
- 2-[1-(phenylmethylthio)cyclohexyl]acetic acid
- beta-(s-benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid
- cyclohexaneacetic acid, 1-((phenylmethyl)thio)-
- s-bzl-pmp-oh
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CAS Number(s) |
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InChIKey |
ANTCXHQXYRYSLK-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
O
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