Cas no 13528-18-2 (Thiourea,N-(5-chloro-2-methylphenyl)-N'-phenyl-)
13528-18-2 structure
Product Name:Thiourea,N-(5-chloro-2-methylphenyl)-N'-phenyl-
CAS No:13528-18-2
MF:C14H13ClN2S
MW:276.784420728683
CID:231363
PubChem ID:1546277
Update Time:2025-04-19
Thiourea,N-(5-chloro-2-methylphenyl)-N'-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea,N-(5-chloro-2-methylphenyl)-N'-phenyl-
- 1-(5-chloro-2-methylphenyl)-3-phenylthiourea
- [(5-chloro-2-methylphenyl)amino](phenylamino)methane-1-thione
- AC1LU3V5
- NSC191422
- NSC-191422
- DTXSID50364260
- AKOS003445427
- 13528-18-2
-
- Inchi： 1S/C14H13ClN2S/c1-10-7-8-11(15)9-13(10)17-14(18)16-12-5-3-2-4-6-12/h2-9H,1H3,(H2,16,17,18)
- InChI Key： IVPQTWIROVRKDQ-UHFFFAOYSA-N
- SMILES： ClC1C=CC(C)=C(C=1)NC(NC1C=CC=CC=1)=S
Computed Properties
- Exact Mass: 276.04899
- Monoisotopic Mass: 276.049
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 279
- 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: 56.2?2
Experimental Properties
- Density: 1.343
- Boiling Point: 383.8°Cat760mmHg
- Flash Point: 185.9°C
- Refractive Index: 1.728
- PSA: 24.06
- LogP: 4.60330
Thiourea,N-(5-chloro-2-methylphenyl)-N'-phenyl- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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