Cas no 53627-48-8 (Carbamodithioic acid, (4-hydroxyphenyl)-)
53627-48-8 structure
Product Name:Carbamodithioic acid, (4-hydroxyphenyl)-
CAS No:53627-48-8
MF:C7H7NOS2
MW:185.266578912735
CID:356822
PubChem ID:3034076
Update Time:2025-04-19
Carbamodithioic acid, (4-hydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Carbamodithioic acid, (4-hydroxyphenyl)-
- (4-hydroxyphenyl)carbamodithioic acid
- 53627-48-8
- DTXSID10388780
-
- Inchi： 1S/C7H7NOS2/c9-6-3-1-5(2-4-6)8-7(10)11/h1-4,9H,(H2,8,10,11)
- InChI Key： RAKAYNJIIQDVAR-UHFFFAOYSA-N
- SMILES： SC(NC1C=CC(=CC=1)O)=S
Computed Properties
- Exact Mass: 184.99701
- Monoisotopic Mass: 184.99690619g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 143
- 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: 1.9
- Topological Polar Surface Area: 65.4?2
Experimental Properties
- PSA: 32.26
Carbamodithioic acid, (4-hydroxyphenyl)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
53627-48-8 (Carbamodithioic acid, (4-hydroxyphenyl)-) Related Products
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