(4-aminosulfanylphenyl)-phenylmethanone

C13H11NOS — CID 174353142

IUPAC(4-aminosulfanylphenyl)-phenylmethanone
SMILESNSc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C13H11NOS/c14-16-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2
InChIKeySFBNGXNOABLKFC-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.88
Rot. Bonds3

About (4-aminosulfanylphenyl)-phenylmethanone

(4-aminosulfanylphenyl)-phenylmethanone (PubChem CID 174353142) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is (4-aminosulfanylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-aminosulfanylphenyl)-phenylmethanone
PubChem CID174353142
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name(4-aminosulfanylphenyl)-phenylmethanone
SMILESNSc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C13H11NOS/c14-16-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2
InChIKeySFBNGXNOABLKFC-UHFFFAOYSA-N
XLogP2.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenylmethanone
CID 3102
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
bis(diphenylmethanone);dihydrochloride
CID 69107757
bis(diphenylmethanone);phenylsulfanylbenzene
CID 159073316
(4-aminophenyl)-phenylmethanone
CID 14346
phenyl-[4-[(4-sulfanylphenyl)disulfanyl]phenyl]methanone
CID 175488031
[4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone
CID 150446587
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;ethane
CID 158014879

Frequently Asked Questions

What is the IUPAC name of (4-aminosulfanylphenyl)-phenylmethanone?
The IUPAC name of (4-aminosulfanylphenyl)-phenylmethanone (CID 174353142) is (4-aminosulfanylphenyl)-phenylmethanone.
What is the SMILES notation for (4-aminosulfanylphenyl)-phenylmethanone?
The canonical SMILES for (4-aminosulfanylphenyl)-phenylmethanone is NSc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-aminosulfanylphenyl)-phenylmethanone?
The InChIKey is SFBNGXNOABLKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c14-16-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2.
What are the key properties of (4-aminosulfanylphenyl)-phenylmethanone?
(4-aminosulfanylphenyl)-phenylmethanone has a molecular weight of 229.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminosulfanylphenyl)-phenylmethanone is sourced from PubChem (CID 174353142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).