Cas no 10017-49-9 (Thiourea,N,N''-1,2-ethanediylbis- (9CI))
10017-49-9 structure
Product Name:Thiourea,N,N''-1,2-ethanediylbis- (9CI)
CAS No:10017-49-9
MF:C4H10N4S2
MW:178.278996944427
CID:182893
PubChem ID:3036869
Update Time:2025-04-19
Thiourea,N,N''-1,2-ethanediylbis- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Thiourea,N,N''-1,2-ethanediylbis- (9CI)
- 2-(carbamothioylamino)ethylthiourea
- 1,1'-ethane-1,2-diyl-bis-thiourea
- 1,1'-Ethylenebis(2-thiourea)
- 1,2-Dithioureido-ethan
- AC1MI1XN
- Bis-ethylenthioharnstoff
- BRN 1771864
- Ethylenebis(thiourea)
- Ethylenethiocarbamide
- N,N''-Aethandiyl-bis-thioharnstoff
- N,N''-Ethylenebisthiourea
- Thiourea, N,N''-ethylenebis-
- Urea, 1,1'-(1,2-ethanediyl)bis(2-thio-
- ETHYLENEBIS(2-THIOUREA), 1,1'-
- Q27254291
- 10017-49-9
- DTXSID20142996
- 2891O8BU1M
- Thiourea, N,N''-ethylenebis- (8CI)
- Ethylen-bis-thioharnstoff
- (1,2-ethanediyl)-bis-isothiourea
- UNII-2891O8BU1M
- SCHEMBL11060352
- 4-04-00-01223 (Beilstein Handbook Reference)
- Thiourea, N,N''-1,2-ethanediylbis-
- AKOS002230669
-
- Inchi： 1S/C4H10N4S2/c5-3(9)7-1-2-8-4(6)10/h1-2H2,(H3,5,7,9)(H3,6,8,10)
- InChI Key： KQSYQIXJOJSMIH-UHFFFAOYSA-N
- SMILES： S=C(N)NCCNC(N)=S
Computed Properties
- Exact Mass: 178.0349
- Monoisotopic Mass: 178.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 119
- 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: -1.1
- Topological Polar Surface Area: 140?2
Experimental Properties
- Density: 1.376
- Boiling Point: 348.9°Cat760mmHg
- Flash Point: 164.8°C
- Refractive Index: 1.688
- PSA: 76.1
- LogP: 0.87600
Thiourea,N,N''-1,2-ethanediylbis- (9CI) Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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