Cas no 108662-27-7 (1,2-Dithiolane-3-carboxamide(9CI))
108662-27-7 structure
Product Name:1,2-Dithiolane-3-carboxamide(9CI)
CAS No:108662-27-7
MF:C4H7NOS2
MW:149.234478235245
CID:128107
PubChem ID:45084263
Update Time:2025-04-18
1,2-Dithiolane-3-carboxamide(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Dithiolane-3-carboxamide(9CI)
- 1,2-Dithiolane-3-carboxamide
- dithiolane-3-carboxamide
- ACMC-1C6V1
- AG-D-25175
- CTK0H2733
- KB-149256
- 108662-27-7
- DTXSID40665576
-
- Inchi： 1S/C4H7NOS2/c5-4(6)3-1-2-7-8-3/h3H,1-2H2,(H2,5,6)
- InChI Key： MZBTUBPLHCHJMN-UHFFFAOYSA-N
- SMILES： S1C(C(N)=O)CCS1
Computed Properties
- Exact Mass: 148.99701
- Monoisotopic Mass: 148.997
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 106
- 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
- Topological Polar Surface Area: 93.7A^2
- XLogP3: 0
Experimental Properties
- PSA: 43.09
1,2-Dithiolane-3-carboxamide(9CI) Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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