Cas no 849806-13-9 (2-THIOPHENEMETHANAMINE, 5-(3-METHYLPHENOXY)-)
849806-13-9 structure
Product Name:2-THIOPHENEMETHANAMINE, 5-(3-METHYLPHENOXY)-
CAS No:849806-13-9
MF:C12H13NOS
MW:219.302721738815
CID:3279197
PubChem ID:23130456
Update Time:2025-04-21
2-THIOPHENEMETHANAMINE, 5-(3-METHYLPHENOXY)- Chemical and Physical Properties
Names and Identifiers
-
- 2-THIOPHENEMETHANAMINE, 5-(3-METHYLPHENOXY)-
- 849806-13-9
- DB-088059
- [5-(3-methylphenyloxy)thiophen-2-yl]methylamine
- TYONNUPMGSYURC-UHFFFAOYSA-N
- SCHEMBL920993
-
- Inchi： 1S/C12H13NOS/c1-9-3-2-4-10(7-9)14-12-6-5-11(8-13)15-12/h2-7H,8,13H2,1H3
- InChI Key： TYONNUPMGSYURC-UHFFFAOYSA-N
- SMILES： C1(CN)SC(OC2=CC=CC(C)=C2)=CC=1
Computed Properties
- Exact Mass: 219.07178521Da
- Monoisotopic Mass: 219.07178521Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 200
- 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: 2.7
- Topological Polar Surface Area: 63.5?2
2-THIOPHENEMETHANAMINE, 5-(3-METHYLPHENOXY)- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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