1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene

C24H26S2 — CID 134929431

IUPAC1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene
SMILESCc1ccccc1CSC(SCc1ccccc1C)c1ccccc1C
InChIInChI=1S/C24H26S2/c1-18-10-4-7-13-21(18)16-25-24(23-15-9-6-12-20(23)3)26-17-22-14-8-5-11-19(22)2/h4-15,24H,16-17H2,1-3H3
InChIKeyBUJADPSZPQCYNV-UHFFFAOYSA-N
MW378.61 g/mol
LogP7.48
Rot. Bonds7

About 1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene

1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene (PubChem CID 134929431) has the molecular formula C24H26S2 and a molecular weight of 378.61 g/mol. Its IUPAC name is 1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene
PubChem CID134929431
Molecular FormulaC24H26S2
Molecular Weight378.61 g/mol
Exact Mass378.15
IUPAC Name1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene
SMILESCc1ccccc1CSC(SCc1ccccc1C)c1ccccc1C
InChIInChI=1S/C24H26S2/c1-18-10-4-7-13-21(18)16-25-24(23-15-9-6-12-20(23)3)26-17-22-14-8-5-11-19(22)2/h4-15,24H,16-17H2,1-3H3
InChIKeyBUJADPSZPQCYNV-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.61
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylphenyl)methylsulfanyl]propan-1-ol
CID 115659346
1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634409
3-amino-2-[(2-methylphenyl)methylsulfanyl]propanoic acid
CID 64695857
1,2-bis(2-methylphenyl)ethanol
CID 60798292
N-[2-[(2-methylphenyl)methylsulfanyl]propyl]pentan-3-amine
CID 62770035
N'-hydroxy-2-[(2-methylphenyl)methylsulfanyl]butanimidamide
CID 76948930
N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 78841431
1,3-bis(2-methylphenyl)-1-phenylpropan-2-one
CID 15504285
1-[(2-methylphenyl)methylsulfanyl]-1-pyridin-4-ylpropan-2-amine
CID 55113260
3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol
CID 114370466
2-[(2-methylphenyl)methylsulfanylmethyl]aniline
CID 62055179
3-[(2-methylphenyl)methylsulfanyl]-N-propan-2-ylpropan-1-amine
CID 62770362

Frequently Asked Questions

What is the IUPAC name of 1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene?
The IUPAC name of 1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene (CID 134929431) is 1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene.
What is the SMILES notation for 1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene?
The canonical SMILES for 1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene is Cc1ccccc1CSC(SCc1ccccc1C)c1ccccc1C.
What is the InChIKey of 1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene?
The InChIKey is BUJADPSZPQCYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26S2/c1-18-10-4-7-13-21(18)16-25-24(23-15-9-6-12-20(23)3)26-17-22-14-8-5-11-19(22)2/h4-15,24H,16-17H2,1-3H3.
What are the key properties of 1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene?
1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene has a molecular weight of 378.61 g/mol, XLogP of 7.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene is sourced from PubChem (CID 134929431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).