Cas no 79208-53-0 (Benzene,1,1'-[1,2-ethynediylbis(thiomethylene)]bis-)
![Benzene,1,1'-[1,2-ethynediylbis(thiomethylene)]bis- structure](https://ossimg.kuujia.com/scimg/79500/79208-53-0x500.png)
79208-53-0 structure
Product Name:Benzene,1,1'-[1,2-ethynediylbis(thiomethylene)]bis-
CAS No:79208-53-0
MF:C16H14S2
MW:270.412361621857
CID:567740
PubChem ID:284509
Update Time:2025-04-19
Benzene,1,1'-[1,2-ethynediylbis(thiomethylene)]bis- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,1'-[1,2-ethynediylbis(thiomethylene)]bis-
- 1,2-BIS(BENZYLTHIO)ACETYLENE
- 2-benzylsulfanylethynylsulfanylmethylbenzene
- (benzyl)SC2S(benzyl)
- 1,1'-[ethyne-1,2-diylbis(sulfanediylmethanediyl)]dibenzene
- Bis(benzylthio)acetylen
- bis(benzylthio)acetylene
- Bis-benzylmercapto-acetylen
- bis-benzylsulfanyl-acetylene
- NSC-140345
- CHEMBL2143118
- SMR001798098
- SCHEMBL44259
- MLS002920509
- DTXSID80300999
- NSC140345
- 79208-53-0
-
- Inchi： 1S/C16H14S2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10H,13-14H2
- InChI Key： OPNRNXVGEVXHPQ-UHFFFAOYSA-N
- SMILES： S(C#CSCC1C=CC=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 270.05400
- Monoisotopic Mass: 270.054
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 248
- 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: 5.1
- Topological Polar Surface Area: 50.6?2
Experimental Properties
- Density: 1.19
- Melting Point: 52-56?°C
- Boiling Point: 414.7°C at 760 mmHg
- Flash Point: 208.3°C
- Refractive Index: 1.656
- PSA: 50.60000
- LogP: 4.77160
Benzene,1,1'-[1,2-ethynediylbis(thiomethylene)]bis- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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