N-(4-bromonaphthalen-2-yl)-N-sulfanylformamide

C11H8BrNOS — CID 174646860

IUPACN-(4-bromonaphthalen-2-yl)-N-sulfanylformamide
SMILESO=CN(S)c1cc(Br)c2ccccc2c1
InChIInChI=1S/C11H8BrNOS/c12-11-6-9(13(15)7-14)5-8-3-1-2-4-10(8)11/h1-7,15H
InChIKeyDLJYIYSUVDDBMV-UHFFFAOYSA-N
MW282.16 g/mol
LogP3.41
Rot. Bonds2

About N-(4-bromonaphthalen-2-yl)-N-sulfanylformamide

N-(4-bromonaphthalen-2-yl)-N-sulfanylformamide (PubChem CID 174646860) has the molecular formula C11H8BrNOS and a molecular weight of 282.16 g/mol. Its IUPAC name is N-(4-bromonaphthalen-2-yl)-N-sulfanylformamide.

Molecular Properties

Compound NameN-(4-bromonaphthalen-2-yl)-N-sulfanylformamide
PubChem CID174646860
Molecular FormulaC11H8BrNOS
Molecular Weight282.16 g/mol
Exact Mass280.95
IUPAC NameN-(4-bromonaphthalen-2-yl)-N-sulfanylformamide
SMILESO=CN(S)c1cc(Br)c2ccccc2c1
InChIInChI=1S/C11H8BrNOS/c12-11-6-9(13(15)7-14)5-8-3-1-2-4-10(8)11/h1-7,15H
InChIKeyDLJYIYSUVDDBMV-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromonaphthalen-2-yl)-N-sulfanylformamide?
The IUPAC name of N-(4-bromonaphthalen-2-yl)-N-sulfanylformamide (CID 174646860) is N-(4-bromonaphthalen-2-yl)-N-sulfanylformamide.
What is the SMILES notation for N-(4-bromonaphthalen-2-yl)-N-sulfanylformamide?
The canonical SMILES for N-(4-bromonaphthalen-2-yl)-N-sulfanylformamide is O=CN(S)c1cc(Br)c2ccccc2c1.
What is the InChIKey of N-(4-bromonaphthalen-2-yl)-N-sulfanylformamide?
The InChIKey is DLJYIYSUVDDBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNOS/c12-11-6-9(13(15)7-14)5-8-3-1-2-4-10(8)11/h1-7,15H.
What are the key properties of N-(4-bromonaphthalen-2-yl)-N-sulfanylformamide?
N-(4-bromonaphthalen-2-yl)-N-sulfanylformamide has a molecular weight of 282.16 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromonaphthalen-2-yl)-N-sulfanylformamide is sourced from PubChem (CID 174646860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).