Cas no 64551-88-8 (Ethanethioamide, N-(1-phenylethyl)-)
64551-88-8 structure
Product Name:Ethanethioamide, N-(1-phenylethyl)-
CAS No:64551-88-8
MF:C10H13NS
MW:179.2819211483
CID:422743
PubChem ID:12357801
Update Time:2025-04-19
Ethanethioamide, N-(1-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanethioamide, N-(1-phenylethyl)-
- N-(1-phenylethyl)ethanethioamide
- DTXSID60493853
- FT-0752729
- SCHEMBL13810445
- 64551-88-8
- VBKCRGYJCBGCIV-UHFFFAOYSA-
- InChI=1/C10H13NS/c1-8(11-9(2)12)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,11,12)
-
- Inchi： 1S/C10H13NS/c1-8(11-9(2)12)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,11,12)
- InChI Key： VBKCRGYJCBGCIV-UHFFFAOYSA-N
- SMILES： S=C(C)NC(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 179.07699
- Monoisotopic Mass: 179.07687059g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 150
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 12.03
Ethanethioamide, N-(1-phenylethyl)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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