Cas no 63717-02-2 (3-propylquinazoline-4(3H)-thione)
63717-02-2 structure
Product Name:3-propylquinazoline-4(3H)-thione
CAS No:63717-02-2
MF:C11H12N2S
MW:204.291380882263
CID:1667528
PubChem ID:114097
Update Time:2025-04-21
3-propylquinazoline-4(3H)-thione Chemical and Physical Properties
Names and Identifiers
-
- 3-propylquinazoline-4(3H)-thione
- 3-Propyl-4-(3H)-quinazolinethione
- 3-propyl-3,4-dihydroquinazoline-4-thione
- 4(3H)-Quinazolinethione, 3-propyl-
- 64487-59-8
- DTXSID40980130
- DB-315599
- 63717-02-2
-
- Inchi： 1S/C11H12N2S/c1-2-7-13-8-12-10-6-4-3-5-9(10)11(13)14/h3-6,8H,2,7H2,1H3
- InChI Key： UXSVFLJNNWQYJC-UHFFFAOYSA-N
- SMILES： S=C1C2C=CC=CC=2N=CN1CCC
Computed Properties
- Exact Mass: 204.07226
- Monoisotopic Mass: 204.07211956g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 250
- 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: 2.4
- Topological Polar Surface Area: 47.7?2
Experimental Properties
- PSA: 15.6
3-propylquinazoline-4(3H)-thione Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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