[2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone

C17H15ClOS2 — CID 21328843

IUPAC[2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone
SMILESCSC(SC)=C(Cl)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H15ClOS2/c1-20-17(21-2)15(18)13-10-6-7-11-14(13)16(19)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyMQLIXMFEDVSTAM-UHFFFAOYSA-N
MW334.89 g/mol
LogP5.51
Rot. Bonds5

About [2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone

[2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone (PubChem CID 21328843) has the molecular formula C17H15ClOS2 and a molecular weight of 334.89 g/mol. Its IUPAC name is [2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone
PubChem CID21328843
Molecular FormulaC17H15ClOS2
Molecular Weight334.89 g/mol
Exact Mass334.03
IUPAC Name[2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone
SMILESCSC(SC)=C(Cl)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H15ClOS2/c1-20-17(21-2)15(18)13-10-6-7-11-14(13)16(19)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyMQLIXMFEDVSTAM-UHFFFAOYSA-N
XLogP5.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.89
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
2-(2-benzoylphenyl)prop-2-enoic acid
CID 69164907
1-(2-benzoylphenyl)-3-chloropropan-1-one
CID 172792049

Frequently Asked Questions

What is the IUPAC name of [2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone (CID 21328843) is [2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone is CSC(SC)=C(Cl)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone?
The InChIKey is MQLIXMFEDVSTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClOS2/c1-20-17(21-2)15(18)13-10-6-7-11-14(13)16(19)12-8-4-3-5-9-12/h3-11H,1-2H3.
What are the key properties of [2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone?
[2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone has a molecular weight of 334.89 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-chloro-2,2-bis(methylsulfanyl)ethenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 21328843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).