Cas no 6333-32-0 (ethyl carbamimidothioate,sulfuric acid)
6333-32-0 structure
Product Name:ethyl carbamimidothioate,sulfuric acid
CAS No:6333-32-0
MF:C3H10N2O4S2
MW:202.252498149872
CID:959802
PubChem ID:9859065
Update Time:2025-04-19
ethyl carbamimidothioate,sulfuric acid Chemical and Physical Properties
Names and Identifiers
-
- ethyl carbamimidothioate,sulfuric acid
- Bis-<S-aethyl-isothioharnstoff>-sulfat
- S-Aethyl-isothioharnstoff,Sulfat
- S-ethyl-isothiourea,sulfate
- 6333-32-0
- SCHEMBL4409267
- NSC-38403
- NSC38403
- AGN-PC-0MUOZI
- DTXSID30431929
-
- Inchi： 1S/C3H8N2S.H2O4S/c1-2-6-3(4)5;1-5(2,3)4/h2H2,1H3,(H3,4,5);(H2,1,2,3,4)
- InChI Key： IPXPQJFDBZXVDF-UHFFFAOYSA-N
- SMILES： S(C(=N)N)CC.S(=O)(=O)(O)O
Computed Properties
- Exact Mass: 202.00800
- Monoisotopic Mass: 202.00819915g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 134
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 158?2
Experimental Properties
- PSA: 158.15000
- LogP: 1.86100
ethyl carbamimidothioate,sulfuric acid Related Literature
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
-
5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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