2-naphthalen-2-ylsulfanylaniline

C16H13NS — CID 43519144

IUPAC2-naphthalen-2-ylsulfanylaniline
SMILESNc1ccccc1Sc1ccc2ccccc2c1
InChIInChI=1S/C16H13NS/c17-15-7-3-4-8-16(15)18-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,17H2
InChIKeyYTRKJTLPWRRULQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP4.57
Rot. Bonds2

About 2-naphthalen-2-ylsulfanylaniline

2-naphthalen-2-ylsulfanylaniline (PubChem CID 43519144) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanylaniline.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanylaniline
PubChem CID43519144
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name2-naphthalen-2-ylsulfanylaniline
SMILESNc1ccccc1Sc1ccc2ccccc2c1
InChIInChI=1S/C16H13NS/c17-15-7-3-4-8-16(15)18-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,17H2
InChIKeyYTRKJTLPWRRULQ-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(Naphthalene-1-sulfonyl)-phenylamine
CID 44390054
Benzenamine, 2-((4-methylphenyl)thio)-
CID 140075
12H-Benzo(b)phenothiazine
CID 255516
(12H)-benzo(a)phenothiazine
CID 67469
2-Naphthalenesulfonanilide
CID 223599
3-[(3-Amino-2-naphthyl)disulfanyl]naphthalen-2-amine
CID 462941
Thiocyanic acid, 2-amino-1-naphthalenyl ester
CID 458737
2-Amino-5-(naphth-2-ylthio)benzonitrile
CID 825277
2-(4-Methylphenyl)sulfanylaniline;hydrochloride
CID 365384
4-((3,4-Dimethylphenyl)sulfanyl)aniline hydrochloride
CID 16241921
Methyl-naphthalen-2-yl-oxo-phenylimino-lambda6-sulfane
CID 135008244
2-(4-Tert-butylphenyl)sulfanylaniline
CID 12026854

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanylaniline?
The IUPAC name of 2-naphthalen-2-ylsulfanylaniline (CID 43519144) is 2-naphthalen-2-ylsulfanylaniline.
What is the SMILES notation for 2-naphthalen-2-ylsulfanylaniline?
The canonical SMILES for 2-naphthalen-2-ylsulfanylaniline is Nc1ccccc1Sc1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-ylsulfanylaniline?
The InChIKey is YTRKJTLPWRRULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS/c17-15-7-3-4-8-16(15)18-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,17H2.
What are the key properties of 2-naphthalen-2-ylsulfanylaniline?
2-naphthalen-2-ylsulfanylaniline has a molecular weight of 251.35 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanylaniline is sourced from PubChem (CID 43519144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).