Cas no 10465-18-6 (Carbamimidothioic acid,1,4-phenylenebis(methylene) ester, dihydrochloride (9CI))
10465-18-6 structure
Product Name:Carbamimidothioic acid,1,4-phenylenebis(methylene) ester, dihydrochloride (9CI)
CAS No:10465-18-6
MF:C10H16Cl2N4S2
MW:327.296836853027
CID:144824
PubChem ID:82644
Update Time:2025-04-19
Carbamimidothioic acid,1,4-phenylenebis(methylene) ester, dihydrochloride (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamimidothioic acid,1,4-phenylenebis(methylene) ester, dihydrochloride (9CI)
- S-Xylylidenedithiouronium chloride
- 10465-18-6
- (1,4-Phenylene)bis(methylene) dicarbamimidothioate--hydrogen chloride (1/2)
- NSC 141417
- Pseudourea, 2,2'-(p-phenylenedimethylene)bis(2-thio-, dihydrochloride
- DTXSID60909101
- 2,2'-(p-Phenylenedimethylene)bis(2-thiopseudourea) dihydrochloride
- USAF PD-9
- NSC 176724
-
- Inchi： 1S/C10H14N4S2.2ClH/c11-9(12)15-5-7-1-2-8(4-3-7)6-16-10(13)14;;/h1-4H,5-6H2,(H3,11,12)(H3,13,14);2*1H
- InChI Key： DEUPPCUPAPJYGM-UHFFFAOYSA-N
- SMILES： Cl.Cl.S(C(=N)N)CC1C=CC(CSC(=N)N)=CC=1
Computed Properties
- Exact Mass: 326.01968
- Monoisotopic Mass: 326.0193443g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 223
- 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,1,4-phenylenebis(methylene) ester, dihydrochloride (9CI) Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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