(3-methyl-2-phenylphenyl)-phenylmethanethione

C20H16S — CID 154222988

IUPAC(3-methyl-2-phenylphenyl)-phenylmethanethione
SMILESCc1cccc(C(=S)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H16S/c1-15-9-8-14-18(19(15)16-10-4-2-5-11-16)20(21)17-12-6-3-7-13-17/h2-14H,1H3
InChIKeyMQWLKZOHWNLFRT-UHFFFAOYSA-N
MW288.42 g/mol
LogP5.43
Rot. Bonds3

About (3-methyl-2-phenylphenyl)-phenylmethanethione

(3-methyl-2-phenylphenyl)-phenylmethanethione (PubChem CID 154222988) has the molecular formula C20H16S and a molecular weight of 288.42 g/mol. Its IUPAC name is (3-methyl-2-phenylphenyl)-phenylmethanethione.

Molecular Properties

Compound Name(3-methyl-2-phenylphenyl)-phenylmethanethione
PubChem CID154222988
Molecular FormulaC20H16S
Molecular Weight288.42 g/mol
Exact Mass288.10
IUPAC Name(3-methyl-2-phenylphenyl)-phenylmethanethione
SMILESCc1cccc(C(=S)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H16S/c1-15-9-8-14-18(19(15)16-10-4-2-5-11-16)20(21)17-12-6-3-7-13-17/h2-14H,1H3
InChIKeyMQWLKZOHWNLFRT-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-phenylphenyl)methanethione
CID 134917705
[3-(4-butylbenzenecarbothioyl)-2-phenylphenyl]-phenylmethanone
CID 150395112
(2-methylphenyl)-(4-methylphenyl)methanethione
CID 54442832
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205
(2,4-dichloro-3-methylphenyl)-phenylmethanethione
CID 156633225
bis(1-(2,3-dimethylphenyl)-2-phenylethane-1,2-dione);tris(1,2-diphenylethane-1,2-dione)
CID 173395381
1-methyl-2-phenyl-3-(3-phenylphenyl)benzene
CID 59171668
2-methyl-6-phenylphenol
CID 12592481
1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene
CID 141155122
3-methyl-2-pyridin-3-ylbenzoic acid
CID 46317094

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-phenylphenyl)-phenylmethanethione?
The IUPAC name of (3-methyl-2-phenylphenyl)-phenylmethanethione (CID 154222988) is (3-methyl-2-phenylphenyl)-phenylmethanethione.
What is the SMILES notation for (3-methyl-2-phenylphenyl)-phenylmethanethione?
The canonical SMILES for (3-methyl-2-phenylphenyl)-phenylmethanethione is Cc1cccc(C(=S)c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (3-methyl-2-phenylphenyl)-phenylmethanethione?
The InChIKey is MQWLKZOHWNLFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16S/c1-15-9-8-14-18(19(15)16-10-4-2-5-11-16)20(21)17-12-6-3-7-13-17/h2-14H,1H3.
What are the key properties of (3-methyl-2-phenylphenyl)-phenylmethanethione?
(3-methyl-2-phenylphenyl)-phenylmethanethione 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 (3-methyl-2-phenylphenyl)-phenylmethanethione is sourced from PubChem (CID 154222988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).