Cas no 77102-55-7 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-3-prop-2-enylsulfanylbenzene
- 1-methyl-3-(prop-2-en-1-ylsulfanyl)benzene
- AC1L3Y93
- AC1Q7DVV
- AR-1C4479
- CTK8D6987
- NSC115078
- NSC-115078
- SureCN6057139
- Benzene, 1-methyl-3-(2-propenylthio)-
- SCHEMBL6057139
- DTXSID60227892
- allyl 3-methylphenyl sulfide
- 77102-55-7
- NSC 115078
-
-
- Inchi： 1S/C10H12S/c1-3-7-11-10-6-4-5-9(2)8-10/h3-6,8H,1,7H2,2H3
- InChI Key： XDJNBBBXVKYCLN-UHFFFAOYSA-N
- SMILES： S(CC=C)C1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 164.06606
- Monoisotopic Mass: 164.06597156g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 120
- 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: 3.4
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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