2-Amino-2-[4-(methylsulfanylmethyl)phenyl]acetic acid

HCID 327552

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Basic information

CAS: 66320-60-3
Standard SMILES: CSCc1ccc(C(N)C(=O)O)cc1
InChIKey: NYBAFFHXTRWHLX-UHFFFAOYSA-N
Molecular formula: C10H13NO2S
Average molar mass: 211.28 g/mol
Monoisotopic mass: 211.06669983

Names & identifiers

Preferred name: 2-Amino-2-[4-(methylsulfanylmethyl)phenyl]acetic acid
IUPAC: 2-amino-2-[4-(methylsulfanylmethyl)phenyl]acetic acid

Names & synonyms

66320-60-32-amino-2-[4-(methylsulfanylmethyl)phenyl]acetic acidNSC303004SCHEMBL5323791DTXSID10316402NSC-303004DS-006813Amino{4-[(methylsulfanyl)methyl]phenyl}acetic acidBENZENEACETIC ACID, A-AMINO-4-[(METHYLTHIO)METHYL]-

Database identifiers

CAS: 66320-60-3
PubChem CID: 327552
DTXSID: DTXSID10316402

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 88.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 191

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