Cas no 16464-64-5 (Carbamimidothioic acid,S,S'-[1,2-phenylenebis(methylene)] ester, hydrobromide (1:2))
![Carbamimidothioic acid,S,S'-[1,2-phenylenebis(methylene)] ester, hydrobromide (1:2) structure](https://ossimg.kuujia.com/scimg/16500/16464-64-5x500.png)
16464-64-5 structure
Product Name:Carbamimidothioic acid,S,S'-[1,2-phenylenebis(methylene)] ester, hydrobromide (1:2)
CAS No:16464-64-5
MF:C10H16Br2N4S2
MW:416.198837280273
CID:144164
PubChem ID:204496
Update Time:2025-04-19
Carbamimidothioic acid,S,S'-[1,2-phenylenebis(methylene)] ester, hydrobromide (1:2) Chemical and Physical Properties
Names and Identifiers
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- Carbamimidothioic acid,S,S'-[1,2-phenylenebis(methylene)] ester, hydrobromide (1:2)
- [2-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate,dihydrobromide
- Carbamimidothioic acid, S,S'-(1,2-phenylenebis(methylene)) ester, dihydrobromide
- 16464-64-5
- Diisothiuronium-o-xylylene dibromide
- SCHEMBL2810146
- CRPZKMZORZBOJH-UHFFFAOYSA-N
- DTXSID20167785
- Pseudourea, 2,2'-(o-phenylenedimethylene)bis(2-thio-, dihydrobromide
- 2,2'-(o-Phenylenedimethylene)bis(2-thiopseudourea) dihydrobromide
- (1,2-phenylene)bis(methylene) dicarbamimidothioate dihydrobromide
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- Inchi： 1S/C10H14N4S2.2BrH/c11-9(12)15-5-7-3-1-2-4-8(7)6-16-10(13)14;;/h1-4H,5-6H2,(H3,11,12)(H3,13,14);2*1H
- InChI Key： CRPZKMZORZBOJH-UHFFFAOYSA-N
- SMILES： Br.Br.S(C(=N)N)CC1C=CC=CC=1CSC(=N)N
Computed Properties
- Exact Mass: 413.91848
- Monoisotopic Mass: 413.91831g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 231
- 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
Carbamimidothioic acid,S,S'-[1,2-phenylenebis(methylene)] ester, hydrobromide (1:2) Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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