Cas no 218625-67-3 (Benzenethiol, 4,4'-thiobis[2-methyl-)
218625-67-3 structure
Product Name:Benzenethiol, 4,4'-thiobis[2-methyl-
CAS No:218625-67-3
MF:C14H14S3
MW:278.455959796906
CID:1404632
PubChem ID:71358195
Update Time:2025-04-20
Benzenethiol, 4,4'-thiobis[2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-4-(3-methyl-4-sulfanylphenyl)sulfanylbenzenethiol
- 4,4'-Sulfanediylbis(2-methylbenzene-1-thiol)
- SCHEMBL16012706
- 218625-67-3
- DTXSID80782216
- Benzenethiol, 4,4'-thiobis[2-methyl-
-
- Inchi： 1S/C14H14S3/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h3-8,15-16H,1-2H3
- InChI Key： UMRAPFOXRCGLPS-UHFFFAOYSA-N
- SMILES： S(C1=CC=C(C(C)=C1)S)C1=CC=C(C(C)=C1)S
Computed Properties
- Exact Mass: 278.02592
- Monoisotopic Mass: 278.02576397g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 220
- 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: 5
- Topological Polar Surface Area: 27.3?2
Experimental Properties
- PSA: 0
Benzenethiol, 4,4'-thiobis[2-methyl- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
218625-67-3 (Benzenethiol, 4,4'-thiobis[2-methyl-) Related Products
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