Cas no 2962-75-6 (Carbamimidothioic acid,9,10-anthracenediylbis(methylene) ester (9CI))
2962-75-6 structure
Product Name:Carbamimidothioic acid,9,10-anthracenediylbis(methylene) ester (9CI)
CAS No:2962-75-6
MF:C18H18N4S2
MW:354.492320537567
CID:260808
PubChem ID:122790
Update Time:2025-04-19
Carbamimidothioic acid,9,10-anthracenediylbis(methylene) ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamimidothioic acid,9,10-anthracenediylbis(methylene) ester (9CI)
- [10-(carbamimidoylsulfanylmethyl)anthracen-9-yl]methyl carbamimidothioate
- ATPU
- Pseudourea, 2,2'- (9,10-anthrylenedimethylene)bis[-2-thio-
- Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester
- CHEMBL453866
- 2-[[10-(carbamimidoylsulfanylmethyl)-9-anthryl]methyl]isothiourea
- 2962-75-6
- NSC56054
- DTXSID60183803
-
- Inchi： 1S/C18H18N4S2/c19-17(20)23-9-15-11-5-1-2-6-12(11)16(10-24-18(21)22)14-8-4-3-7-13(14)15/h1-8H,9-10H2,(H3,19,20)(H3,21,22)
- InChI Key： ULXNUSWDNFKRMZ-UHFFFAOYSA-N
- SMILES： S(C(=N)N)CC1C2C=CC=CC=2C(CSC(=N)N)=C2C=CC=CC=12
Computed Properties
- Exact Mass: 354.09728894g/mol
- Monoisotopic Mass: 354.09728894g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 404
- 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: 3.9
- Topological Polar Surface Area: 150?2
Carbamimidothioic acid,9,10-anthracenediylbis(methylene) ester (9CI) Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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