(4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone

C15H14O2S2 — CID 102300318

IUPAC(4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccccc2SCS)cc1
InChIInChI=1S/C15H14O2S2/c1-17-12-8-6-11(7-9-12)15(16)13-4-2-3-5-14(13)19-10-18/h2-9,18H,10H2,1H3
InChIKeyFOWZKPSCOUVSHS-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.91
Rot. Bonds5

About (4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone

(4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone (PubChem CID 102300318) has the molecular formula C15H14O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone
PubChem CID102300318
Molecular FormulaC15H14O2S2
Molecular Weight290.41 g/mol
Exact Mass290.04
IUPAC Name(4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone
SMILESCOc1ccc(C(=O)c2ccccc2SCS)cc1
InChIInChI=1S/C15H14O2S2/c1-17-12-8-6-11(7-9-12)15(16)13-4-2-3-5-14(13)19-10-18/h2-9,18H,10H2,1H3
InChIKeyFOWZKPSCOUVSHS-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone
CID 102300317
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
2-benzoyl-N'-(4-methoxybenzoyl)benzohydrazide
CID 585519
(2-ethenylphenyl)-(4-methoxyphenyl)methanone
CID 134346906
1-[2-(4-methoxybenzoyl)phenyl]-3-(2-methylpropyl)urea
CID 110613344
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 14451235
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058
2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 154168626
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone (CID 102300318) is (4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone is COc1ccc(C(=O)c2ccccc2SCS)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone?
The InChIKey is FOWZKPSCOUVSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S2/c1-17-12-8-6-11(7-9-12)15(16)13-4-2-3-5-14(13)19-10-18/h2-9,18H,10H2,1H3.
What are the key properties of (4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone?
(4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone has a molecular weight of 290.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 102300318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).