Benzenamine, 4-(1-naphthalenylthio)-

HCID 11322702

Notes Reactions

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Basic information

CAS: 76180-77-3
Standard SMILES: Nc1ccc(Sc2cccc3ccccc23)cc1
InChIKey: ZLCVAHCZYLWBGP-UHFFFAOYSA-N
Molecular formula: C16H13NS
Average molar mass: 251.3 g/mol
Monoisotopic mass: 251.07687042

Names & identifiers

Preferred name: Benzenamine, 4-(1-naphthalenylthio)-
IUPAC: 4-naphthalen-1-ylsulfanylaniline

Names & synonyms

76180-77-3Benzenamine, 4-(1-naphthalenylthio)-SCHEMBL85584654-(Naphthalen-1-ylthio)aniline1-(4-aminophenylthio)naphthaleneDTXSID70462358ZLCVAHCZYLWBGP-UHFFFAOYSA-N4-[(Naphthalen-1-yl)sulfanyl]aniline

Database identifiers

CAS: 76180-77-3
PubChem CID: 11322702
DTXSID: DTXSID70462358

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 51.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 260

Related reactions

3 records

New reaction record

HRID 55078As productuspto-grants-1997_04

HRID 1118188As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2395334As productuspto-grants-1998_09

Compound notes

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