Cas no 19420-07-6 (Butanethioamide,N,N-diethyl-)
Butanethioamide,N,N-diethyl- structure
Product Name:Butanethioamide,N,N-diethyl-
CAS No:19420-07-6
MF:C8H17NS
MW:159.292280912399
CID:123563
PubChem ID:546881
Update Time:2025-04-18
Butanethioamide,N,N-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- Butanethioamide,N,N-diethyl-
- Butanethioamide, N,N-diethyl-
- N,N-Diethyl-butyrothioamide
- butanethioamide, N,N-diethyl-
- InChI=1/C8H17NS/c1-4-7-8(10)9(5-2)6-3/h4-7H2,1-3H
- 19420-07-6
- SCHEMBL20458788
- N,N-Diethylbutanethioamide #
- N,N-diethyl-thiobutyramide
- XSDYVJCOVSBGAP-UHFFFAOYSA-N
- N,N-Diethylbutanethioamide
-
- Inchi: 1S/C8H17NS/c1-4-7-8(10)9(5-2)6-3/h4-7H2,1-3H3
- InChI Key: XSDYVJCOVSBGAP-UHFFFAOYSA-N
- SMILES: S=C(CCC)N(CC)CC
Computed Properties
- Exact Mass: 159.10831
- Monoisotopic Mass: 159.10817072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 97.4
- 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: 35.3?2
Experimental Properties
- PSA: 3.24
Butanethioamide,N,N-diethyl- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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