Amino[4-(tert-butylsulfanyl)phenyl]acetic acid - CAS 1336902-75-0
Catalog: |
BB074579 |
Product Name: |
Amino[4-(tert-butylsulfanyl)phenyl]acetic acid |
CAS: |
1336902-75-0 |
Synonyms: |
2-Amino-2-(4-(tert-butylthio)phenyl)acetic acid; 2-amino-2-(4-tert-butylsulfanylphenyl)acetic acid; 2-Amino-2-(4-(tert-butylthio)phenyl)aceticacid; AMINO[4-(TERT-BUTYLSULFANYL)PHENYL]ACETIC ACID |
IUPAC Name: | 2-amino-2-(4-tert-butylsulfanylphenyl)acetic acid |
Description: | Amino[4-(tert-butylsulfanyl)phenyl]acetic acid |
Molecular Weight: | 239.33 |
Molecular Formula: | C12H17NO2S |
Canonical SMILES: | CC(C)(C)SC1=CC=C(C=C1)C(C(=O)O)N |
InChI: | InChI=1S/C12H17NO2S/c1-12(2,3)16-9-6-4-8(5-7-9)10(13)11(14)15/h4-7,10H,13H2,1-3H3,(H,14,15) |
InChI Key: | GMLRFEWSLUWJSU-UHFFFAOYSA-N |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.09799996 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.09799996 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 88.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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