Cas no 142620-95-9 (Carbamimidothioic acid,2-[bis(1-methylethyl)amino]ethyl ester)
142620-95-9 structure
Product Name:Carbamimidothioic acid,2-[bis(1-methylethyl)amino]ethyl ester
CAS No:142620-95-9
MF:C9H21N3S
MW:203.348140478134
CID:171408
PubChem ID:132460
Update Time:2025-04-19
Carbamimidothioic acid,2-[bis(1-methylethyl)amino]ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamimidothioic acid,2-[bis(1-methylethyl)amino]ethyl ester
- 2-[di(propan-2-yl)amino]ethyl carbamimidothioate
- 2-(Bis(1-methylethyl)amino)ethyl carbamimidothioate
- 2-(dipropan-2-ylamino)ethyl carbamimidothioate
- Carbamimidothioic acid, 2-(bis(1-methylethyl)amino)ethyl ester
- DINOR
- S-(2-(N,N-Diisopropylamino)ethyl)isothiourea
- 142620-95-9
- DTXSID70162104
-
- Inchi: 1S/C9H21N3S/c1-7(2)12(8(3)4)5-6-13-9(10)11/h7-8H,5-6H2,1-4H3,(H3,10,11)
- InChI Key: LZIAMMQBHJIZAG-UHFFFAOYSA-N
- SMILES: S(C(=N)N)CCN(C(C)C)C(C)C
Computed Properties
- Exact Mass: 203.14583
- Monoisotopic Mass: 203.14561886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 149
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.8
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 53.11
Carbamimidothioic acid,2-[bis(1-methylethyl)amino]ethyl ester Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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