1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene

C21H20S2 — CID 135192592

IUPAC1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene
SMILESCc1ccc(Sc2ccc(Sc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C21H20S2/c1-15-4-7-18(8-5-15)22-19-10-12-20(13-11-19)23-21-9-6-16(2)17(3)14-21/h4-14H,1-3H3
InChIKeyIYJJXCQMZZQCAE-UHFFFAOYSA-N
MW336.53 g/mol
LogP6.91
Rot. Bonds4

About 1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene

1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene (PubChem CID 135192592) has the molecular formula C21H20S2 and a molecular weight of 336.53 g/mol. Its IUPAC name is 1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene.

Molecular Properties

Compound Name1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene
PubChem CID135192592
Molecular FormulaC21H20S2
Molecular Weight336.53 g/mol
Exact Mass336.10
IUPAC Name1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene
SMILESCc1ccc(Sc2ccc(Sc3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C21H20S2/c1-15-4-7-18(8-5-15)22-19-10-12-20(13-11-19)23-21-9-6-16(2)17(3)14-21/h4-14H,1-3H3
InChIKeyIYJJXCQMZZQCAE-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.53
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
[4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528941
1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfonylbenzene
CID 3090076
2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde
CID 55238574
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 81281971
(3,4-dimethylphenyl) thiohypochlorite
CID 117036068
1,2,4-trimethylbenzene
CID 7247
3-(4-methylphenyl)sulfanylbenzenethiol
CID 126723170
1-chloro-3-(4-methylphenyl)sulfanylbenzene
CID 91027886
3-(4-methylphenyl)sulfanylphenol
CID 20780501
5-(4-methylphenyl)sulfanylbenzene-1,3-diamine
CID 139969677

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene?
The IUPAC name of 1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene (CID 135192592) is 1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene.
What is the SMILES notation for 1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene?
The canonical SMILES for 1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene is Cc1ccc(Sc2ccc(Sc3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of 1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene?
The InChIKey is IYJJXCQMZZQCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20S2/c1-15-4-7-18(8-5-15)22-19-10-12-20(13-11-19)23-21-9-6-16(2)17(3)14-21/h4-14H,1-3H3.
What are the key properties of 1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene?
1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene has a molecular weight of 336.53 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene is sourced from PubChem (CID 135192592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).