(2-ethenylsulfanylthiophen-3-yl)-phenylmethanone

C13H10OS2 — CID 102099535

IUPAC(2-ethenylsulfanylthiophen-3-yl)-phenylmethanone
SMILESC=CSc1sccc1C(=O)c1ccccc1
InChIInChI=1S/C13H10OS2/c1-2-15-13-11(8-9-16-13)12(14)10-6-4-3-5-7-10/h2-9H,1H2
InChIKeyADHHNOAMHAUJSE-UHFFFAOYSA-N
MW246.36 g/mol
LogP4.21
Rot. Bonds4

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

(2-ethenylsulfanylthiophen-3-yl)-phenylmethanone (PubChem CID 102099535) has the molecular formula C13H10OS2 and a molecular weight of 246.36 g/mol. Its IUPAC name is (2-ethenylsulfanylthiophen-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-ethenylsulfanylthiophen-3-yl)-phenylmethanone
PubChem CID102099535
Molecular FormulaC13H10OS2
Molecular Weight246.36 g/mol
Exact Mass246.02
IUPAC Name(2-ethenylsulfanylthiophen-3-yl)-phenylmethanone
SMILESC=CSc1sccc1C(=O)c1ccccc1
InChIInChI=1S/C13H10OS2/c1-2-15-13-11(8-9-16-13)12(14)10-6-4-3-5-7-10/h2-9H,1H2
InChIKeyADHHNOAMHAUJSE-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-arsanylthiophen-3-yl)-phenylmethanone
CID 173051807
3-benzoylthiophene-2-carboxylate
CID 6995645
chloroethene;diphenylmethanone
CID 159955636
diphenylmethanone
CID 3102
[2-(N-ethenylanilino)phenyl]-phenylmethanone
CID 69118531
3-(2-benzoylthiophen-3-yl)-3-oxopropanoic acid
CID 19785051
1-(2-benzoyl-5-methylphenyl)prop-2-en-1-one
CID 141351016
[2-(2-ethenylphenyl)phenyl]-phenylmethanone
CID 71373352
phenyl-(2-prop-2-enylphenyl)methanone
CID 12026554
N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide
CID 67411846
(2-benzoyl-5-hydroxyphenyl) prop-2-enoate
CID 139962678
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of (2-ethenylsulfanylthiophen-3-yl)-phenylmethanone?
The IUPAC name of (2-ethenylsulfanylthiophen-3-yl)-phenylmethanone (CID 102099535) is (2-ethenylsulfanylthiophen-3-yl)-phenylmethanone.
What is the SMILES notation for (2-ethenylsulfanylthiophen-3-yl)-phenylmethanone?
The canonical SMILES for (2-ethenylsulfanylthiophen-3-yl)-phenylmethanone is C=CSc1sccc1C(=O)c1ccccc1.
What is the InChIKey of (2-ethenylsulfanylthiophen-3-yl)-phenylmethanone?
The InChIKey is ADHHNOAMHAUJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS2/c1-2-15-13-11(8-9-16-13)12(14)10-6-4-3-5-7-10/h2-9H,1H2.
What are the key properties of (2-ethenylsulfanylthiophen-3-yl)-phenylmethanone?
(2-ethenylsulfanylthiophen-3-yl)-phenylmethanone has a molecular weight of 246.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylsulfanylthiophen-3-yl)-phenylmethanone is sourced from PubChem (CID 102099535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).