3D Mol Similar

N-{[(2-Phenoxyethyl)sulfanyl]carbonothioyl}glycine

: Iupac Name：2-(2-phenoxyethylsulfanylcarbothioylamino)acetic acid; CAS No.: 90705-48-9; Molecular Weight：271.4; Modify Date.: 2022-11-03 21:39

1. Names and Identifiers

: 1.1 Name; N-{[(2-Phenoxyethyl)sulfanyl]carbonothioyl}glycine; 1.2 Synonyms; ACMC-20ltbeCTK3G6260DTXSID90756660Glycine, N-[[(2-phenoxyethyl)thio]thioxomethyl]-

1.6 Inchi: InChI=1S/C11H13NO3S2/c13-10(14)8-12-11(16)17-7-6-15-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,16)(H,13,14)

2. Properties

3. Computational chemical data

Molecular Weight: 271.4g/mol
Molecular Formula: C₁₁H₁₃NO₃S₂
Compound Is Canonicalized: True
XLogP3-AA: 2.3
Exact Mass: 271.03368562
Monoisotopic Mass: 271.03368562
Complexity: 255
Rotatable Bond Count: 7
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 5
Topological Polar Surface Area: 116
Heavy Atom Count: 17
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: AAADccByMABgAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgQQCAAACATl0AawDoLABgiMACDSCAACCABgIBkIiICOCIgOJiKEMTqCOCCkwBEYqAeAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

5. Realated Product Infomation

1088555-95-6 Methyl 2-{[(dodecylsulfanyl)carbonothioyl]sulfanyl}-2-methylpropanoate

2255321-25-4 Glycine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-(2-phenoxyethyl)-

303988-42-3 1-(4-CHLOROPHENYL)-2-((5-[(2-PHENOXYETHYL)SULFANYL]-1,3,4-THIADIAZOL-2-YL)SULFANYL)-1-ETHANONE

326903-84-8 2-[(1H-Benzimidazol-2-ylmethyl)sulfanyl]-1-(2-phenoxyethyl)-1H-benzimidazole

915909-82-9 2-{4-Ethyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenol

426246-87-9 1-(4-Methylphenyl)-3-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea

791791-92-9 N-{[(4-anilinophenyl)amino]carbonothioyl}cyclobutanecarboxamide

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