phenyl-(4-thionitrosophenyl)methanone

C13H9NOS — CID 148950209

IUPACphenyl-(4-thionitrosophenyl)methanone
SMILESO=C(c1ccccc1)c1ccc(N=S)cc1
InChIInChI=1S/C13H9NOS/c15-13(10-4-2-1-3-5-10)11-6-8-12(14-16)9-7-11/h1-9H
InChIKeyPPUMKJFPVBCVSO-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.28
Rot. Bonds3

About phenyl-(4-thionitrosophenyl)methanone

phenyl-(4-thionitrosophenyl)methanone (PubChem CID 148950209) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is phenyl-(4-thionitrosophenyl)methanone.

Molecular Properties

Compound Namephenyl-(4-thionitrosophenyl)methanone
PubChem CID148950209
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Namephenyl-(4-thionitrosophenyl)methanone
SMILESO=C(c1ccccc1)c1ccc(N=S)cc1
InChIInChI=1S/C13H9NOS/c15-13(10-4-2-1-3-5-10)11-6-8-12(14-16)9-7-11/h1-9H
InChIKeyPPUMKJFPVBCVSO-UHFFFAOYSA-N
XLogP3.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diphenylmethanone;hydron;fluoride
CID 21465824
diphenylmethanone
CID 3102
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
bis(diphenylmethanone);dihydrochloride
CID 69107757
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;ethane
CID 158014879
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
phenyl-(4-phenylphenyl)methanone
CID 155775877
4-benzoylbenzenecarbothioyl chloride
CID 163969608
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243

Frequently Asked Questions

What is the IUPAC name of phenyl-(4-thionitrosophenyl)methanone?
The IUPAC name of phenyl-(4-thionitrosophenyl)methanone (CID 148950209) is phenyl-(4-thionitrosophenyl)methanone.
What is the SMILES notation for phenyl-(4-thionitrosophenyl)methanone?
The canonical SMILES for phenyl-(4-thionitrosophenyl)methanone is O=C(c1ccccc1)c1ccc(N=S)cc1.
What is the InChIKey of phenyl-(4-thionitrosophenyl)methanone?
The InChIKey is PPUMKJFPVBCVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c15-13(10-4-2-1-3-5-10)11-6-8-12(14-16)9-7-11/h1-9H.
What are the key properties of phenyl-(4-thionitrosophenyl)methanone?
phenyl-(4-thionitrosophenyl)methanone has a molecular weight of 227.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-thionitrosophenyl)methanone is sourced from PubChem (CID 148950209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).