Cas no 70805-46-8 (2-(Pentylthio)-pyrimidine-4,5,6-triamine)
70805-46-8 structure
Product Name:2-(Pentylthio)-pyrimidine-4,5,6-triamine
CAS No:70805-46-8
MF:C9H17N5S
MW:227.32977938652
CID:2139925
Update Time:2023-08-04
2-(Pentylthio)-pyrimidine-4,5,6-triamine Chemical and Physical Properties
Names and Identifiers
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- 2-(pentylthio)-pyrimidine-4,5,6-triamine
- DXARBZNAJAXMES-UHFFFAOYSA-N
- 4,5,6-Pyrimidinetriamine, 2-(pentylthio)-
- 2-(Pentylthio)-pyrimidine-4,5,6-triamine
-
- Inchi： 1S/C9H17N5S/c1-2-3-4-5-15-9-13-7(11)6(10)8(12)14-9/h2-5,10H2,1H3,(H4,11,12,13,14)
- InChI Key： DXARBZNAJAXMES-UHFFFAOYSA-N
- SMILES： S(C1N=C(C(=C(N)N=1)N)N)CCCCC
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 168
- Topological Polar Surface Area: 129
2-(Pentylthio)-pyrimidine-4,5,6-triamine Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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