Cas no 176795-86-1 (2-Thiazolemethanamine,N-methylene-)
176795-86-1 structure
Product Name:2-Thiazolemethanamine,N-methylene-
CAS No:176795-86-1
MF:C5H6N2S
MW:126.179539203644
CID:112469
PubChem ID:45121874
Update Time:2025-04-18
2-Thiazolemethanamine,N-methylene- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiazolemethanamine,N-methylene-
- 2-Thiazolemethanamine, N-methylene-
- SCHEMBL9608817
- 176795-86-1
-
- Inchi： 1S/C5H6N2S/c1-6-4-5-7-2-3-8-5/h2-3H,1,4H2
- InChI Key： MEFGTCXDVMUYJG-UHFFFAOYSA-N
- SMILES： S1C=CN=C1CN=C
Computed Properties
- Exact Mass: 126.02528
- Monoisotopic Mass: 126.025
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 84.5
- 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
- Topological Polar Surface Area: 53.5A^2
- XLogP3: 2.1
Experimental Properties
- PSA: 25.25
2-Thiazolemethanamine,N-methylene- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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