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

C15H14S — CID 54442832

IUPAC(2-methylphenyl)-(4-methylphenyl)methanethione
SMILESCc1ccc(C(=S)c2ccccc2C)cc1
InChIInChI=1S/C15H14S/c1-11-7-9-13(10-8-11)15(16)14-6-4-3-5-12(14)2/h3-10H,1-2H3
InChIKeyWPIVVNAJOMHAOP-UHFFFAOYSA-N
MW226.34 g/mol
LogP4.07
Rot. Bonds2

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

(2-methylphenyl)-(4-methylphenyl)methanethione (PubChem CID 54442832) has the molecular formula C15H14S and a molecular weight of 226.34 g/mol. Its IUPAC name is (2-methylphenyl)-(4-methylphenyl)methanethione.

Molecular Properties

Compound Name(2-methylphenyl)-(4-methylphenyl)methanethione
PubChem CID54442832
Molecular FormulaC15H14S
Molecular Weight226.34 g/mol
Exact Mass226.08
IUPAC Name(2-methylphenyl)-(4-methylphenyl)methanethione
SMILESCc1ccc(C(=S)c2ccccc2C)cc1
InChIInChI=1S/C15H14S/c1-11-7-9-13(10-8-11)15(16)14-6-4-3-5-12(14)2/h3-10H,1-2H3
InChIKeyWPIVVNAJOMHAOP-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.07
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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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(4-methylphenyl)methanethione?
The IUPAC name of (2-methylphenyl)-(4-methylphenyl)methanethione (CID 54442832) is (2-methylphenyl)-(4-methylphenyl)methanethione.
What is the SMILES notation for (2-methylphenyl)-(4-methylphenyl)methanethione?
The canonical SMILES for (2-methylphenyl)-(4-methylphenyl)methanethione is Cc1ccc(C(=S)c2ccccc2C)cc1.
What is the InChIKey of (2-methylphenyl)-(4-methylphenyl)methanethione?
The InChIKey is WPIVVNAJOMHAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14S/c1-11-7-9-13(10-8-11)15(16)14-6-4-3-5-12(14)2/h3-10H,1-2H3.
What are the key properties of (2-methylphenyl)-(4-methylphenyl)methanethione?
(2-methylphenyl)-(4-methylphenyl)methanethione has a molecular weight of 226.34 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(4-methylphenyl)methanethione is sourced from PubChem (CID 54442832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).