2-amino-5-naphthalen-1-ylbenzenethiol

C16H13NS — CID 154132377

IUPAC2-amino-5-naphthalen-1-ylbenzenethiol
SMILESNc1ccc(-c2cccc3ccccc23)cc1S
InChIInChI=1S/C16H13NS/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,18H,17H2
InChIKeyYVPCNVVMCPWZQT-UHFFFAOYSA-N
MW251.35 g/mol
LogP4.38
Rot. Bonds1

About 2-amino-5-naphthalen-1-ylbenzenethiol

2-amino-5-naphthalen-1-ylbenzenethiol (PubChem CID 154132377) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-amino-5-naphthalen-1-ylbenzenethiol.

Molecular Properties

Compound Name2-amino-5-naphthalen-1-ylbenzenethiol
PubChem CID154132377
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name2-amino-5-naphthalen-1-ylbenzenethiol
SMILESNc1ccc(-c2cccc3ccccc23)cc1S
InChIInChI=1S/C16H13NS/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,18H,17H2
InChIKeyYVPCNVVMCPWZQT-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-naphthalen-1-ylaniline
CID 54912687
2-methyl-4-naphthalen-1-ylaniline
CID 54912725
2-naphthalen-1-ylanthracene
CID 2748705
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
3-(4-naphthalen-1-ylphenyl)aniline
CID 154675291
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735
4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline
CID 146374126
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
2-phenanthren-3-ylaniline
CID 118107877
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-naphthalen-1-ylbenzenethiol?
The IUPAC name of 2-amino-5-naphthalen-1-ylbenzenethiol (CID 154132377) is 2-amino-5-naphthalen-1-ylbenzenethiol.
What is the SMILES notation for 2-amino-5-naphthalen-1-ylbenzenethiol?
The canonical SMILES for 2-amino-5-naphthalen-1-ylbenzenethiol is Nc1ccc(-c2cccc3ccccc23)cc1S.
What is the InChIKey of 2-amino-5-naphthalen-1-ylbenzenethiol?
The InChIKey is YVPCNVVMCPWZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,18H,17H2.
What are the key properties of 2-amino-5-naphthalen-1-ylbenzenethiol?
2-amino-5-naphthalen-1-ylbenzenethiol has a molecular weight of 251.35 g/mol, XLogP of 4.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-naphthalen-1-ylbenzenethiol is sourced from PubChem (CID 154132377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).