Cas no 141499-30-1 (1,2-Pyrazolidinedicarboxaldehyde, 4-mercapto- (9CI))
141499-30-1 structure
Product Name:1,2-Pyrazolidinedicarboxaldehyde, 4-mercapto- (9CI)
CAS No:141499-30-1
MF:C5H8N2O2S
MW:160.194219589233
CID:101618
PubChem ID:45083361
Update Time:2025-04-18
1,2-Pyrazolidinedicarboxaldehyde, 4-mercapto- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Pyrazolidinedicarboxaldehyde, 4-mercapto- (9CI)
- 1,2-Pyrazolidinedicarboxaldehyde,4-mercapto-
- 4-Mercaptopyrazolidine-1,2-dicarbaldehyde
- 141499-30-1
-
- Inchi: 1S/C5H8N2O2S/c8-3-6-1-5(10)2-7(6)4-9/h3-5,10H,1-2H2
- InChI Key: ATIOHIOXOKHDSB-UHFFFAOYSA-N
- SMILES: SC1CN(C=O)N(C=O)C1
Computed Properties
- Exact Mass: 160.031
- Monoisotopic Mass: 160.031
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 137
- 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
- Topological Polar Surface Area: 41.6A^2
- XLogP3: -0.4
1,2-Pyrazolidinedicarboxaldehyde, 4-mercapto- (9CI) Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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