Cas no 104715-68-6 (6H-Purine-6-thione,2-[(4-butylphenyl)amino]-1,9-dihydro-)
![6H-Purine-6-thione,2-[(4-butylphenyl)amino]-1,9-dihydro- structure](https://ossimg.kuujia.com/scimg/105000/104715-68-6x500.png)
104715-68-6 structure
Product Name:6H-Purine-6-thione,2-[(4-butylphenyl)amino]-1,9-dihydro-
CAS No:104715-68-6
MF:C15H17N5S
MW:299.393980741501
CID:184829
PubChem ID:3005246
Update Time:2025-04-19
6H-Purine-6-thione,2-[(4-butylphenyl)amino]-1,9-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purine-6-thione,2-[(4-butylphenyl)amino]-1,9-dihydro-
- 2-(4-butylanilino)-3,7-dihydropurine-6-thione
- 1,9-Dihydro-2-((4-butylphenyl)amino)-6H-purine-6-thione
- 2-(p-n-butylphenyl)-6-thioguanine
- 6H-Purine-6-thione, 1,9-dihydro-2-((4-butylphenyl)amino)-
- AC1MHIFU
- BRN 5581980
- CHEBI:117096
- CHEMBL16129
- NCI60_030848
- NSC685805
- BDBM50025595
- NSC-685805
- 2-(4-Butylanilino)-9H-purin-6-yl hydrosulfide
- DTXSID00146674
- 104715-68-6
- 2-(4-Butyl-phenylamino)-1,9-dihydro-purine-6-thione
- 2-(4-Butylanilino)-9H-purine-6-thiol
-
- Inchi： 1S/C15H17N5S/c1-2-3-4-10-5-7-11(8-6-10)18-15-19-13-12(14(21)20-15)16-9-17-13/h5-9H,2-4H2,1H3,(H3,16,17,18,19,20,21)
- InChI Key： JWQSQZFFXQPOJJ-UHFFFAOYSA-N
- SMILES： S=C1C2=C(N=CN2)NC(=N1)NC1C=CC(=CC=1)CCCC
Computed Properties
- Exact Mass: 299.12071
- Monoisotopic Mass: 299.120466
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 403
- 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: 97.2
Experimental Properties
- Density: 1.36
- Boiling Point: 542.4°C at 760 mmHg
- Flash Point: 281.8°C
- Refractive Index: 1.715
- PSA: 66.49
- LogP: 3.80080
6H-Purine-6-thione,2-[(4-butylphenyl)amino]-1,9-dihydro- Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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