Cas no 27587-87-7 (Hydrazinecarbothioamide,N-methyl-2-(4-methylphenyl)-)
27587-87-7 structure
Product Name:Hydrazinecarbothioamide,N-methyl-2-(4-methylphenyl)-
CAS No:27587-87-7
MF:C9H13N3S
MW:195.284620046616
CID:265077
PubChem ID:4433715
Update Time:2025-04-19
Hydrazinecarbothioamide,N-methyl-2-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Hydrazinecarbothioamide,N-methyl-2-(4-methylphenyl)-
- 1-methyl-3-(4-methylanilino)thiourea
- (methylamino)[2-(4-methylphenyl)hydrazino]methane-1-thione
- 4-methyl-1-p-tolyl thiosemicarbazide
- 4-Methyl-1-p-tolyl-thiosemicarbazid
- AC1NAWAU
- NSC261049
- SCHEMBL11414331
- 27587-87-7
- NSC-261049
- DTXSID70403246
- AKOS024383486
-
- Inchi： 1S/C9H13N3S/c1-7-3-5-8(6-4-7)11-12-9(13)10-2/h3-6,11H,1-2H3,(H2,10,12,13)
- InChI Key： UZQGABYVLDPLDH-UHFFFAOYSA-N
- SMILES： S=C(NC)NNC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 195.08319
- Monoisotopic Mass: 195.08301860g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 164
- 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: 1.5
- Topological Polar Surface Area: 68.2?2
Experimental Properties
- PSA: 36.09
- LogP: 2.27060
Hydrazinecarbothioamide,N-methyl-2-(4-methylphenyl)- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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