1,2-bis[(3-methylphenyl)sulfanyl]benzene

C20H18S2 — CID 58715664

IUPAC1,2-bis[(3-methylphenyl)sulfanyl]benzene
SMILESCc1cccc(Sc2ccccc2Sc2cccc(C)c2)c1
InChIInChI=1S/C20H18S2/c1-15-7-5-9-17(13-15)21-19-11-3-4-12-20(19)22-18-10-6-8-16(2)14-18/h3-14H,1-2H3
InChIKeyRYNSTXYQSCJVFB-UHFFFAOYSA-N
MW322.50 g/mol
LogP6.61
Rot. Bonds4

About 1,2-bis[(3-methylphenyl)sulfanyl]benzene

1,2-bis[(3-methylphenyl)sulfanyl]benzene (PubChem CID 58715664) has the molecular formula C20H18S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1,2-bis[(3-methylphenyl)sulfanyl]benzene.

Molecular Properties

Compound Name1,2-bis[(3-methylphenyl)sulfanyl]benzene
PubChem CID58715664
Molecular FormulaC20H18S2
Molecular Weight322.50 g/mol
Exact Mass322.08
IUPAC Name1,2-bis[(3-methylphenyl)sulfanyl]benzene
SMILESCc1cccc(Sc2ccccc2Sc2cccc(C)c2)c1
InChIInChI=1S/C20H18S2/c1-15-7-5-9-17(13-15)21-19-11-3-4-12-20(19)22-18-10-6-8-16(2)14-18/h3-14H,1-2H3
InChIKeyRYNSTXYQSCJVFB-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
CID 78938825
[2-bromo-6-(3-methylphenyl)sulfanylphenyl]methanamine
CID 114884661
1-fluoro-3-(3-methylphenyl)sulfanyl-2-nitrobenzene
CID 62688959
[2-chloro-6-(3-methylphenyl)sulfanylphenyl]methanol
CID 63835095
[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine
CID 79515180
4-methyl-2-(3-methylphenyl)sulfanylbenzonitrile
CID 63538453
3-methyl-4-(3-methylphenyl)sulfanylbenzaldehyde
CID 63803402
ethane;1-methyl-3-propan-2-ylsulfanylbenzene
CID 172609121
3-methyl-5-(3-methylphenyl)sulfanylaniline
CID 112648769
N-methyl-3-(3-methylphenyl)sulfanylaniline
CID 117033152
4-chloro-2-(3-methylphenyl)sulfanylbenzaldehyde
CID 114863720

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(3-methylphenyl)sulfanyl]benzene?
The IUPAC name of 1,2-bis[(3-methylphenyl)sulfanyl]benzene (CID 58715664) is 1,2-bis[(3-methylphenyl)sulfanyl]benzene.
What is the SMILES notation for 1,2-bis[(3-methylphenyl)sulfanyl]benzene?
The canonical SMILES for 1,2-bis[(3-methylphenyl)sulfanyl]benzene is Cc1cccc(Sc2ccccc2Sc2cccc(C)c2)c1.
What is the InChIKey of 1,2-bis[(3-methylphenyl)sulfanyl]benzene?
The InChIKey is RYNSTXYQSCJVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18S2/c1-15-7-5-9-17(13-15)21-19-11-3-4-12-20(19)22-18-10-6-8-16(2)14-18/h3-14H,1-2H3.
What are the key properties of 1,2-bis[(3-methylphenyl)sulfanyl]benzene?
1,2-bis[(3-methylphenyl)sulfanyl]benzene has a molecular weight of 322.50 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(3-methylphenyl)sulfanyl]benzene is sourced from PubChem (CID 58715664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).