Cas no 22814-94-4 (Hydrazinecarbothioamide, N-(4-methylphenyl)-2-phenyl-)
22814-94-4 structure
Product Name:Hydrazinecarbothioamide, N-(4-methylphenyl)-2-phenyl-
CAS No:22814-94-4
MF:C14H15N3S
MW:257.354001283646
CID:291391
PubChem ID:5159975
Update Time:2025-04-19
Hydrazinecarbothioamide, N-(4-methylphenyl)-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Hydrazinecarbothioamide, N-(4-methylphenyl)-2-phenyl-
- 1-anilino-3-(4-methylphenyl)thiourea
- NSC49343
- NSC-49343
- DTXSID50409024
- 22814-94-4
-
- Inchi： 1S/C14H15N3S/c1-11-7-9-12(10-8-11)15-14(18)17-16-13-5-3-2-4-6-13/h2-10,16H,1H3,(H2,15,17,18)
- InChI Key： LNQFXHLSBUXMNS-UHFFFAOYSA-N
- SMILES： S=C(NNC1C=CC=CC=1)NC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 257.09885
- Monoisotopic Mass: 257.09866866g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 256
- 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: 3.8
- Topological Polar Surface Area: 68.2?2
Experimental Properties
- PSA: 36.09
Hydrazinecarbothioamide, N-(4-methylphenyl)-2-phenyl- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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