Cas no 827320-17-2 (3-Butenethioamide, N-2-propenyl-)
827320-17-2 structure
Product Name:3-Butenethioamide, N-2-propenyl-
CAS No:827320-17-2
MF:C7H11NS
MW:141.23394036293
CID:684862
PubChem ID:12139998
Update Time:2025-04-19
3-Butenethioamide, N-2-propenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Butenethioamide, N-2-propenyl-
- N-prop-2-enylbut-3-enethioamide
- AKOS006376866
- SCHEMBL13834579
- 827320-17-2
- DTXSID00478361
- N-allyl-3-butenethioamide
-
- Inchi： 1S/C7H11NS/c1-3-5-7(9)8-6-4-2/h3-4H,1-2,5-6H2,(H,8,9)
- InChI Key： KTFLNWSKCFPHAF-UHFFFAOYSA-N
- SMILES： S=C(CC=C)NCC=C
Computed Properties
- Exact Mass: 141.06122053g/mol
- Monoisotopic Mass: 141.06122053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 118
- 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: 1.5
- Topological Polar Surface Area: 44.1?2
3-Butenethioamide, N-2-propenyl- Related Literature
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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