Cas no 60722-71-6 (2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-amine)
![2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-amine structure](https://ossimg.kuujia.com/scimg/61000/60722-71-6x500.png)
60722-71-6 structure
Product Name:2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-amine
CAS No:60722-71-6
MF:C11H10ClN3S
MW:251.735199451447
CID:953411
PubChem ID:308484
Update Time:2025-04-19
2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-amine Chemical and Physical Properties
Names and Identifiers
-
- 2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-amine
- 2-(4-chloro-benzylsulfanyl)-pyrimidin-4-ylamine
- 2-[[(4-chlorophenyl)methyl]thio]-4-pyrimidinamine
- 2-p-chlorobenzylthiocytosine
- AC1L7CZ8
- NSC210286
- SureCN6637209
- NSC-210286
- 60722-71-6
- SCHEMBL6637209
- DTXSID30308864
- CHEMBL3273655
- DS-012702
- 2-{[(4-Chlorophenyl)methyl]sulfanyl}pyrimidin-4-amine
-
- Inchi： 1S/C11H10ClN3S/c12-9-3-1-8(2-4-9)7-16-11-14-6-5-10(13)15-11/h1-6H,7H2,(H2,13,14,15)
- InChI Key： YDFRADMMKNLUDF-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)CSC1N=CC=C(N)N=1
Computed Properties
- Exact Mass: 251.0286
- Monoisotopic Mass: 251.028
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 209
- 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: 2.8
- Topological Polar Surface Area: 77.1?2
Experimental Properties
- Density: 1.39
- Boiling Point: 447.1°C at 760 mmHg
- Flash Point: 224.2°C
- Refractive Index: 1.676
- PSA: 51.8
- LogP: 3.58570
2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-amine Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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