Cas no 70398-91-3 (Benzene, 1-[(1-methylethyl)thio]-4-(methylthio)-)
![Benzene, 1-[(1-methylethyl)thio]-4-(methylthio)- structure](https://ossimg.kuujia.com/scimg/70500/70398-91-3x500.png)
70398-91-3 structure
Product Name:Benzene, 1-[(1-methylethyl)thio]-4-(methylthio)-
CAS No:70398-91-3
MF:C10H14S2
MW:198.348160266876
MDL:MFCD31621813
CID:547288
PubChem ID:12763257
Update Time:2025-04-19
Benzene, 1-[(1-methylethyl)thio]-4-(methylthio)- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 1-[(1-methylethyl)thio]-4-(methylthio)-
- 1-methylsulfanyl-4-propan-2-ylsulfanylbenzene
- 4-(Methylthio)-phenyl isopropyl sulphide
- Benzene,1-[(1-methylethyl)thio]-4-(methylthio)
- p-(isopropylthio)phenyl methyl sulfide
- p-(Isopropylthio)-phenyl methyl sulphide
- p-(Isopropylthio)-phenylmethylsulfid
- p-(methylthio)phenyl-i-propyl sulphide
- DTXSID40509269
- 70398-91-3
- SCHEMBL13111201
- 1-(Methylsulfanyl)-4-[(propan-2-yl)sulfanyl]benzene
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- MDL： MFCD31621813
- Inchi： 1S/C10H14S2/c1-8(2)12-10-6-4-9(11-3)5-7-10/h4-8H,1-3H3
- InChI Key： NAOVOEUQDIATLF-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)SC)C(C)C
Computed Properties
- Exact Mass: 198.05400
- Monoisotopic Mass: 198.05369279g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 115
- 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: 3.7
- Topological Polar Surface Area: 50.6?2
Experimental Properties
- PSA: 50.60000
- LogP: 3.90900
Benzene, 1-[(1-methylethyl)thio]-4-(methylthio)- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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