Cas no 1379294-64-0 ()
structure
Product Name:
CAS No:1379294-64-0
MF:C7H9NS2
MW:171.28305888176
CID:6646924
PubChem ID:54572791
Update Time:2024-03-02
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C7H9NS2/c1-5-2-3-6(8)7(4-5)10-9/h2-4,9H,8H2,1H3
- InChI Key： ZYMOLFNISAVJTA-UHFFFAOYSA-N
- SMILES： S(C1C=C(C)C=CC=1N)S
Computed Properties
- Exact Mass: 171.01764164g/mol
- Monoisotopic Mass: 171.01764164g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 108
- 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: 2.2
- Topological Polar Surface Area: 52.3?2
Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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