1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene

C14H14O2S3 — CID 85215242

IUPAC1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene
SMILESCS(=O)c1ccc(Sc2ccc(S(C)=O)cc2)cc1
InChIInChI=1S/C14H14O2S3/c1-18(15)13-7-3-11(4-8-13)17-12-5-9-14(10-6-12)19(2)16/h3-10H,1-2H3
InChIKeyRGVJIJUDVHOZCW-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.31
Rot. Bonds4

About 1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene

1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene (PubChem CID 85215242) has the molecular formula C14H14O2S3 and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene
PubChem CID85215242
Molecular FormulaC14H14O2S3
Molecular Weight310.47 g/mol
Exact Mass310.02
IUPAC Name1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene
SMILESCS(=O)c1ccc(Sc2ccc(S(C)=O)cc2)cc1
InChIInChI=1S/C14H14O2S3/c1-18(15)13-7-3-11(4-8-13)17-12-5-9-14(10-6-12)19(2)16/h3-10H,1-2H3
InChIKeyRGVJIJUDVHOZCW-UHFFFAOYSA-N
XLogP3.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diphenyl sulfone
CID 31386
Diphenyl sulfide
CID 8766
Methyl phenyl sulfone
CID 18369
Diphenyl sulfoxide
CID 13679
Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
1,1'-(1,2-Ethanediylbis(sulfonyl))bis(benzene)
CID 69036
(2-Propen-1-ylsulfonyl)benzene
CID 85330
Methyl phenyl sulfoxide
CID 14516
(Ethylsulphonyl)benzene
CID 69032
Bis(phenylsulfonyl)methane
CID 76948
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
trans-1,2-Bis(phenylsulfonyl)ethylene
CID 5367099

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene?
The IUPAC name of 1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene (CID 85215242) is 1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene.
What is the SMILES notation for 1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene?
The canonical SMILES for 1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene is CS(=O)c1ccc(Sc2ccc(S(C)=O)cc2)cc1.
What is the InChIKey of 1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene?
The InChIKey is RGVJIJUDVHOZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S3/c1-18(15)13-7-3-11(4-8-13)17-12-5-9-14(10-6-12)19(2)16/h3-10H,1-2H3.
What are the key properties of 1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene?
1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene has a molecular weight of 310.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyl-4-(4-methylsulfinylphenyl)sulfanylbenzene is sourced from PubChem (CID 85215242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).