Cas no 61335-33-9 (Hydrazinecarbothioamide, N-(2,5-dimethoxyphenyl)-)
61335-33-9 structure
Product Name:Hydrazinecarbothioamide, N-(2,5-dimethoxyphenyl)-
CAS No:61335-33-9
MF:C9H13N3O2S
MW:227.283420324326
CID:483526
PubChem ID:21858990
Update Time:2025-04-19
Hydrazinecarbothioamide, N-(2,5-dimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Hydrazinecarbothioamide, N-(2,5-dimethoxyphenyl)-
- 1-amino-3-(2,5-dimethoxyphenyl)thiourea
- N-(2,5-dimethoxyphenyl)hydrazinecarbothioamide
- 61335-33-9
- DTXSID10618913
- AKOS005744965
-
- Inchi： 1S/C9H13N3O2S/c1-13-6-3-4-8(14-2)7(5-6)11-9(15)12-10/h3-5H,10H2,1-2H3,(H2,11,12,15)
- InChI Key： RBYOOTSLGYCLTL-UHFFFAOYSA-N
- SMILES： S=C(NN)NC1C=C(C=CC=1OC)OC
Computed Properties
- Exact Mass: 227.07299
- Monoisotopic Mass: 227.07284784g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 216
- 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: 0.7
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 68.54
Hydrazinecarbothioamide, N-(2,5-dimethoxyphenyl)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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