(2-methylphenyl)-(4-phenylphenyl)methanethione

C20H16S — CID 134917705

IUPAC(2-methylphenyl)-(4-phenylphenyl)methanethione
SMILESCc1ccccc1C(=S)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16S/c1-15-7-5-6-10-19(15)20(21)18-13-11-17(12-14-18)16-8-3-2-4-9-16/h2-14H,1H3
InChIKeyRAFIXTODIMHJFO-UHFFFAOYSA-N
MW288.42 g/mol
LogP5.43
Rot. Bonds3

About (2-methylphenyl)-(4-phenylphenyl)methanethione

(2-methylphenyl)-(4-phenylphenyl)methanethione (PubChem CID 134917705) has the molecular formula C20H16S and a molecular weight of 288.42 g/mol. Its IUPAC name is (2-methylphenyl)-(4-phenylphenyl)methanethione.

Molecular Properties

Compound Name(2-methylphenyl)-(4-phenylphenyl)methanethione
PubChem CID134917705
Molecular FormulaC20H16S
Molecular Weight288.42 g/mol
Exact Mass288.10
IUPAC Name(2-methylphenyl)-(4-phenylphenyl)methanethione
SMILESCc1ccccc1C(=S)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16S/c1-15-7-5-6-10-19(15)20(21)18-13-11-17(12-14-18)16-8-3-2-4-9-16/h2-14H,1H3
InChIKeyRAFIXTODIMHJFO-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.42
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2-methylphenyl)-(4-methylphenyl)methanethione
CID 54442832
(3-methyl-2-phenylphenyl)-phenylmethanethione
CID 154222988
N-[[(2-methylbenzoyl)amino]carbamothioyl]-4-phenylbenzamide
CID 4659412
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
methyl 4-phenylbenzenecarbodithioate
CID 14982602
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
(2-methylphenyl)-[2-(2-sulfanylphenyl)phenyl]methanethione
CID 22061667
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1,1'-biphenyl;toluene
CID 18366440
[4-(4-methylbenzenecarbothioyl)phenyl]-phenylmethanone
CID 151070047

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(4-phenylphenyl)methanethione?
The IUPAC name of (2-methylphenyl)-(4-phenylphenyl)methanethione (CID 134917705) is (2-methylphenyl)-(4-phenylphenyl)methanethione.
What is the SMILES notation for (2-methylphenyl)-(4-phenylphenyl)methanethione?
The canonical SMILES for (2-methylphenyl)-(4-phenylphenyl)methanethione is Cc1ccccc1C(=S)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2-methylphenyl)-(4-phenylphenyl)methanethione?
The InChIKey is RAFIXTODIMHJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16S/c1-15-7-5-6-10-19(15)20(21)18-13-11-17(12-14-18)16-8-3-2-4-9-16/h2-14H,1H3.
What are the key properties of (2-methylphenyl)-(4-phenylphenyl)methanethione?
(2-methylphenyl)-(4-phenylphenyl)methanethione has a molecular weight of 288.42 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(4-phenylphenyl)methanethione is sourced from PubChem (CID 134917705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).