Cas no 63734-52-1 (Propanethioamide, 3-[(4-chloro-2-methylphenyl)amino]-)
![Propanethioamide, 3-[(4-chloro-2-methylphenyl)amino]- structure](https://ossimg.kuujia.com/scimg/64000/63734-52-1x500.png)
63734-52-1 structure
Product Name:Propanethioamide, 3-[(4-chloro-2-methylphenyl)amino]-
CAS No:63734-52-1
MF:C10H13ClN2S
MW:228.741619825363
CID:1657239
Update Time:2024-09-12
Propanethioamide, 3-[(4-chloro-2-methylphenyl)amino]- Chemical and Physical Properties
Names and Identifiers
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- Propanethioamide, 3-[(4-chloro-2-methylphenyl)amino]-
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- Inchi： 1S/C10H13ClN2S/c1-7-6-8(11)2-3-9(7)13-5-4-10(12)14/h2-3,6,13H,4-5H2,1H3,(H2,12,14)
- InChI Key： YCRRJEASUZHCKG-UHFFFAOYSA-N
- SMILES： C(N)(=S)CCNC1=CC=C(Cl)C=C1C
Computed Properties
- Exact Mass: 228.04899
Experimental Properties
- Density: 1.279±0.06 g/cm3(Predicted)
- Boiling Point: 419.2±55.0 °C(Predicted)
- PSA: 38.05
- pka: 13.09±0.29(Predicted)
Propanethioamide, 3-[(4-chloro-2-methylphenyl)amino]- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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