(2-arsanylthiophen-3-yl)-phenylmethanone

C11H9AsOS — CID 173051807

IUPAC(2-arsanylthiophen-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccsc1[AsH2]
InChIInChI=1S/C11H9AsOS/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h1-7H,12H2
InChIKeyASPYMHYJEUPFMZ-UHFFFAOYSA-N
MW264.18 g/mol
LogP1.24
Rot. Bonds2

About (2-arsanylthiophen-3-yl)-phenylmethanone

(2-arsanylthiophen-3-yl)-phenylmethanone (PubChem CID 173051807) has the molecular formula C11H9AsOS and a molecular weight of 264.18 g/mol. Its IUPAC name is (2-arsanylthiophen-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-arsanylthiophen-3-yl)-phenylmethanone
PubChem CID173051807
Molecular FormulaC11H9AsOS
Molecular Weight264.18 g/mol
Exact Mass263.96
IUPAC Name(2-arsanylthiophen-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccsc1[AsH2]
InChIInChI=1S/C11H9AsOS/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h1-7H,12H2
InChIKeyASPYMHYJEUPFMZ-UHFFFAOYSA-N
XLogP1.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzoylthiophene-2-carboxylate
CID 6995645
cobalt(2+);diphenylmethanone
CID 19033779
(2-ethenylsulfanylthiophen-3-yl)-phenylmethanone
CID 102099535
diphenylmethanone
CID 3102
3-(2-benzoylthiophen-3-yl)-3-oxopropanoic acid
CID 19785051
N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide
CID 67411846
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
bis(diphenylmethanone);dihydrochloride
CID 69107757
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
diphenylmethanone;ethane
CID 158014879
diphenylmethanone;hydron;fluoride
CID 21465824

Frequently Asked Questions

What is the IUPAC name of (2-arsanylthiophen-3-yl)-phenylmethanone?
The IUPAC name of (2-arsanylthiophen-3-yl)-phenylmethanone (CID 173051807) is (2-arsanylthiophen-3-yl)-phenylmethanone.
What is the SMILES notation for (2-arsanylthiophen-3-yl)-phenylmethanone?
The canonical SMILES for (2-arsanylthiophen-3-yl)-phenylmethanone is O=C(c1ccccc1)c1ccsc1[AsH2].
What is the InChIKey of (2-arsanylthiophen-3-yl)-phenylmethanone?
The InChIKey is ASPYMHYJEUPFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9AsOS/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h1-7H,12H2.
What are the key properties of (2-arsanylthiophen-3-yl)-phenylmethanone?
(2-arsanylthiophen-3-yl)-phenylmethanone has a molecular weight of 264.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-arsanylthiophen-3-yl)-phenylmethanone is sourced from PubChem (CID 173051807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).