Cas no 20025-91-6 ((4-dodecylphenyl)methanethiol)
(4-dodecylphenyl)methanethiol structure
Product Name:(4-dodecylphenyl)methanethiol
CAS No:20025-91-6
MF:C19H32S
MW:292.522384643555
CID:908875
PubChem ID:296297
Update Time:2025-04-19
(4-dodecylphenyl)methanethiol Chemical and Physical Properties
Names and Identifiers
-
- (4-dodecylphenyl)methanethiol
- AC1L6PX5
- NSC166309
- NSC-166309
- DTXSID80304573
- 20025-91-6
- SCHEMBL9642346
-
- Inchi: 1S/C19H32S/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(17-20)16-14-18/h13-16,20H,2-12,17H2,1H3
- InChI Key: MGHOMBZRLVDFEY-UHFFFAOYSA-N
- SMILES: SCC1C=CC(=CC=1)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 292.22266
- Monoisotopic Mass: 292.222
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 12
- Complexity: 194
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.2
- Topological Polar Surface Area: 1?2
Experimental Properties
- Density: 0.92
- Boiling Point: 397.9°C at 760 mmHg
- Flash Point: 164°C
- Refractive Index: 1.509
- PSA: 0
- LogP: 6.57980
(4-dodecylphenyl)methanethiol Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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