Cas no 57898-05-2 (Isophorene)
Isophorene structure
Product Name:Isophorene
CAS No:57898-05-2
MF:C14H28N4S2
MW:316.528920173645
CID:6768862
Update Time:2024-03-03
Isophorene Chemical and Physical Properties
Names and Identifiers
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- Isophorene
-
- Inchi： 1S/C14H28N4S2/c1-13(2)6-10(18-12(20)16-5)7-14(3,8-13)9-17-11(19)15-4/h10H,6-9H2,1-5H3,(H2,15,17,19)(H2,16,18,20)/t10-,14-/m1/s1
- InChI Key： KEJFAGMNOBNFJR-QMTHXVAHSA-N
- SMILES： [C@@H]1(C[C@@](C)(CNC(NC)=S)CC(C)(C)C1)NC(NC)=S
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- XLogP3: 3.04
Isophorene Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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