Cas no 13057-37-9 (Thiourea,N,N''-1,2-ethanediylbis[N'-(1,1-dimethylethyl)- (9CI))
13057-37-9 structure
Product Name:Thiourea,N,N''-1,2-ethanediylbis[N'-(1,1-dimethylethyl)- (9CI)
CAS No:13057-37-9
MF:C12H26N4S2
MW:290.491639614105
CID:181590
PubChem ID:3976624
Update Time:2025-04-19
Thiourea,N,N''-1,2-ethanediylbis[N'-(1,1-dimethylethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1-tert-butyl-3-[2-(tert-butylcarbamothioylamino)ethyl]thiourea
- 1,1'-ethylen-bis(3-tert-butylthioharnstoff)
- AC1N17CD
- N',N'''-Di-tert-butyl-N,N''-aethandiyl-bis-thioharnstoff
- N',N'''-di-tert-butyl-N,N''-ethanediyl-bis-thiourea
- NSC524524
- DTXSID90398342
- NSC-524524
- 13057-37-9
- Thiourea,N,N''-1,2-ethanediylbis[N'-(1,1-dimethylethyl)- (9CI)
-
- Inchi： 1S/C12H26N4S2/c1-11(2,3)15-9(17)13-7-8-14-10(18)16-12(4,5)6/h7-8H2,1-6H3,(H2,13,15,17)(H2,14,16,18)
- InChI Key： GDHRFOZLQBOUDV-UHFFFAOYSA-N
- SMILES： S=C(NCCNC(NC(C)(C)C)=S)NC(C)(C)C
Computed Properties
- Exact Mass: 290.16018
- Monoisotopic Mass: 290.16
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 259
- 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: 1.7
- Topological Polar Surface Area: 112?2
Experimental Properties
- Density: 1.068
- Boiling Point: 374.3°Cat760mmHg
- Flash Point: 180.2°C
- Refractive Index: 1.549
- PSA: 48.12
- LogP: 3.07520
Thiourea,N,N''-1,2-ethanediylbis[N'-(1,1-dimethylethyl)- (9CI) Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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