Cas no 70398-85-5 (Benzene, 1,4-bis[(1-methylethyl)thio]-)
![Benzene, 1,4-bis[(1-methylethyl)thio]- structure](https://ossimg.kuujia.com/scimg/70500/70398-85-5x500.png)
70398-85-5 structure
Product Name:Benzene, 1,4-bis[(1-methylethyl)thio]-
CAS No:70398-85-5
MF:C12H18S2
MW:226.401320934296
CID:547290
PubChem ID:12505025
Update Time:2025-04-19
Benzene, 1,4-bis[(1-methylethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,4-bis[(1-methylethyl)thio]-
- 1,4-bis(propan-2-ylsulfanyl)benzene
- DTXSID50500686
- 1,4-bis(isopropylsulfanyl)-benzene
- 1,4-Bis[(propan-2-yl)sulfanyl]benzene
- 70398-85-5
- 1,4-bis(isopropylsulfanyl)benzene
-
- Inchi： 1S/C12H18S2/c1-9(2)13-11-5-7-12(8-6-11)14-10(3)4/h5-10H,1-4H3
- InChI Key： TUDBPDFMNCIVDM-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)SC(C)C)C(C)C
Computed Properties
- Exact Mass: 226.08514
- Monoisotopic Mass: 226.08499292g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 128
- 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: 4.5
- Topological Polar Surface Area: 50.6?2
Experimental Properties
- PSA: 0
Benzene, 1,4-bis[(1-methylethyl)thio]- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
70398-85-5 (Benzene, 1,4-bis[(1-methylethyl)thio]-) Related Products
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