1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene

C20H16Br2S2 — CID 58715679

IUPAC1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene
SMILESCc1cc(Sc2ccc(Br)cc2)c(Sc2ccc(Br)cc2)cc1C
InChIInChI=1S/C20H16Br2S2/c1-13-11-19(23-17-7-3-15(21)4-8-17)20(12-14(13)2)24-18-9-5-16(22)6-10-18/h3-12H,1-2H3
InChIKeyCWHNFJBMWYDADM-UHFFFAOYSA-N
MW480.29 g/mol
LogP8.13
Rot. Bonds4

About 1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene

1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene (PubChem CID 58715679) has the molecular formula C20H16Br2S2 and a molecular weight of 480.29 g/mol. Its IUPAC name is 1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene.

Molecular Properties

Compound Name1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene
PubChem CID58715679
Molecular FormulaC20H16Br2S2
Molecular Weight480.29 g/mol
Exact Mass477.91
IUPAC Name1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene
SMILESCc1cc(Sc2ccc(Br)cc2)c(Sc2ccc(Br)cc2)cc1C
InChIInChI=1S/C20H16Br2S2/c1-13-11-19(23-17-7-3-15(21)4-8-17)20(12-14(13)2)24-18-9-5-16(22)6-10-18/h3-12H,1-2H3
InChIKeyCWHNFJBMWYDADM-UHFFFAOYSA-N
XLogP8.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.29
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-1-(4-ethylphenyl)sulfanyl-2-methylbenzene
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3-bromo-4-(4-bromophenyl)sulfanylphenol
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1,2-dimethyl-4-phenyl-5-phenylsulfanylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene?
The IUPAC name of 1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene (CID 58715679) is 1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene.
What is the SMILES notation for 1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene?
The canonical SMILES for 1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene is Cc1cc(Sc2ccc(Br)cc2)c(Sc2ccc(Br)cc2)cc1C.
What is the InChIKey of 1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene?
The InChIKey is CWHNFJBMWYDADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2S2/c1-13-11-19(23-17-7-3-15(21)4-8-17)20(12-14(13)2)24-18-9-5-16(22)6-10-18/h3-12H,1-2H3.
What are the key properties of 1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene?
1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene has a molecular weight of 480.29 g/mol, XLogP of 8.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene is sourced from PubChem (CID 58715679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).