Cas no 104976-82-1 (Propanoic acid, 2,2'-[1,4-phenylenebis(carbonothioylthio)]bis-)
![Propanoic acid, 2,2'-[1,4-phenylenebis(carbonothioylthio)]bis- structure](https://ossimg.kuujia.com/scimg/105000/104976-82-1x500.png)
104976-82-1 structure
Product Name:Propanoic acid, 2,2'-[1,4-phenylenebis(carbonothioylthio)]bis-
CAS No:104976-82-1
MF:C14H14O4S4
MW:374.518558979034
CID:1150114
PubChem ID:13722838
Update Time:2025-04-20
Propanoic acid, 2,2'-[1,4-phenylenebis(carbonothioylthio)]bis- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2,2'-[1,4-phenylenebis(carbonothioylthio)]bis-
- 2-[4-(1-carboxyethylsulfanylcarbothioyl)benzenecarbothioyl]sulfanylpropanoic acid
- 2,2'-[1,4-Phenylenebis(carbonothioylsulfanediyl)]dipropanoic acid
- DTXSID20547649
- 104976-82-1
-
- Inchi： 1S/C14H14O4S4/c1-7(11(15)16)21-13(19)9-3-5-10(6-4-9)14(20)22-8(2)12(17)18/h3-8H,1-2H3,(H,15,16)(H,17,18)
- InChI Key： NMOIMKSQBYCNOG-UHFFFAOYSA-N
- SMILES： S(C(C1C=CC(C(=S)SC(C(=O)O)C)=CC=1)=S)C(C(=O)O)C
Computed Properties
- Exact Mass: 373.97762
- Monoisotopic Mass: 373.97749362g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 416
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 189?2
Experimental Properties
- PSA: 74.6
Propanoic acid, 2,2'-[1,4-phenylenebis(carbonothioylthio)]bis- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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