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CAS No.: | 7218-04-4 |
---|---|
Name: | N-acetyl-DL-cysteine |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C5H9NO3S |
Molecular Weight: | 163.197 |
Synonyms: | Cysteine,N-acetyl-, DL- (8CI);DL-Cysteine, N-acetyl-;2-Acetylamino-3-mercaptopropionicacid;N-Acetyl-DL-cysteine; |
EINECS: | 230-609-9 |
Density: | 1.295 g/cm3 |
Boiling Point: | 407.678 °C at 760 mmHg |
Flash Point: | 200.357 °C |
PSA: | 108.69000 |
LogP: | 0.34580 |
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This chemical is called Cysteine, N-acetyl-, and it can also be named as DL-Cysteine, N-acetyl-. With the molecular formula of C5H9NO3S, its molecular weight is 163.19486. The CAS registry number of this chemical is 7218-04-4, and its EINECS number is 230-609-9. Additionally, the IUPAC name of this chemical is 2-acetamido-3-sulfanylpropanoic acid.
Other characteristics of the Cysteine, N-acetyl- can be summarised as followings: (1)XLogP3: 0.4; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 3; (5)Tautomer Count: 2; (6)Exact Mass: 163.030314; (7)MonoIsotopic Mass: 163.030314; (8)Topological Polar Surface Area: 67.4; (9)Heavy Atom Count: 10; (10)Formal Charge: 0; (11)Complexity: 148; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 1; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC(CS)C(=O)O
(2)InChI: InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)
(3)InChIKey: PWKSKIMOESPYIA-UHFFFAOYSA-N