Cas no 67616-46-0 (Propanoic acid, 3-(nitrosothio)-)
67616-46-0 structure
Product Name:Propanoic acid, 3-(nitrosothio)-
CAS No:67616-46-0
MF:C3H5NO3S
MW:135.141699552536
CID:1719370
PubChem ID:9855486
Update Time:2025-04-21
Propanoic acid, 3-(nitrosothio)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3-(nitrosothio)-
- 3-nitrososulfanylpropanoic acid
- SCHEMBL672850
- DTXSID80431797
- 67616-46-0
- s-nitroso-3-mercaptopropionic acid
- AKOS006380547
-
- Inchi： 1S/C3H5NO3S/c5-3(6)1-2-8-4-7/h1-2H2,(H,5,6)
- InChI Key： CJSRFRAVAGCWRN-UHFFFAOYSA-N
- SMILES： S(CCC(=O)O)N=O
Computed Properties
- Exact Mass: 134.99905
- Monoisotopic Mass: 134.99901420g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 94.5
- 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: -0.3
- Topological Polar Surface Area: 92?2
Experimental Properties
- PSA: 66.73
Propanoic acid, 3-(nitrosothio)- Related Literature
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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