Cas no 63680-28-4 (but-2-yne-1,4-diyl dicarbamimidothioate dihydrochloride)
63680-28-4 structure
Product Name:but-2-yne-1,4-diyl dicarbamimidothioate dihydrochloride
CAS No:63680-28-4
MF:C6H12Cl2N4S2
MW:275.222275733948
CID:1656681
PubChem ID:113982
Update Time:2025-04-21
but-2-yne-1,4-diyl dicarbamimidothioate dihydrochloride Chemical and Physical Properties
Names and Identifiers
-
- but-2-yne-1,4-diyl dicarbamimidothioate dihydrochloride
- Pseudourea, 2,2'-(2-butynylene)bis(2-thio-, dihydrochloride
- 4-carbamimidoylsulfanylbut-2-ynyl carbamimidothioate;dihydrochloride
- Pseudourea, 2,2'-(2-butynylene)dithiodi-, dihydrochloride
- But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2)
- 2,2'-(2-Butynylene)bis(2-thiopseudourea), dihydrochloride
- AKOS030509938
- DTXSID70979931
- 63680-28-4
-
- Inchi： 1S/C6H10N4S2.2ClH/c7-5(8)11-3-1-2-4-12-6(9)10;;/h3-4H2,(H3,7,8)(H3,9,10);2*1H
- InChI Key： YSQHMFQEZSXFHD-UHFFFAOYSA-N
- SMILES： Cl.Cl.S(C(=N)N)CC#CCSC(=N)N
Computed Properties
- Exact Mass: 273.98836
- Monoisotopic Mass: 273.9880441g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 214
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 150?2
Experimental Properties
- PSA: 99.74
but-2-yne-1,4-diyl dicarbamimidothioate dihydrochloride Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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