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Acetamide, N-methyl-2-[methyl(thioxomethyl)amino]- (9CI)
1. Names and Identifiers
- 1.1 Name
- Acetamide, N-methyl-2-[methyl(thioxomethyl)amino]- (9CI)
- 1.2 Synonyms
- Acetamide, N-methyl-2-[methyl(thioxomethyl)amino]-;
- 1.3 CAS No.
- 533886-97-4
- 1.4 CID
- 45088095
- 1.5 Molecular Formula
- C5H10N2OS
- 1.6 Inchi
- InChI=1S/C5H10N2OS/c1-6-5(8)3-7(2)4-9/h4H,3H2,1-2H3,(H,6,8)
- 1.7 InChkey
- KVZHROWCUCETBY-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CNC(=O)CN(C)C=S
- 1.9 Isomers Smiles
- CNC(=O)CN(C)C=S
2. Computed Properties
- Molecular Weight：146.208g/mol
- Molecular Formula：C5H10N2OS
- Compound Is Canonicalized：True
- Exact Mass：-0.3
- XLogP3-AA：146.05138412
- Monoisotopic Mass：146.05138412
- Complexity：116
- Rotatable Bond Count：2
- Hydrogen Bond Donor Count：1
- Hydrogen Bond Acceptor Count：2
- Topological Polar Surface Area：64.4
- Heavy Atom Count：：9
- Defined Atom Stereocenter Count：0
- Undefined Atom Stereocenter Count：0
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：1
- CACTVS Substructure Key Fingerprint：AAADccBjIABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgQQAAAAAADBgASCAAPAAAAMAAEQEAAAAAAAAAgAAICIAAAAQAAAACAQAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
3. Realated Product Infomation
EN![Acetamide, N-methyl-2-[methyl(thioxomethyl)amino]- (9CI) structure](https://structimg.guidechem.com/5/5/558364.png)
