1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene

C16H16S2 — CID 166447004

IUPAC1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene
SMILESCc1ccccc1S/C=C\Sc1ccccc1C
InChIInChI=1S/C16H16S2/c1-13-7-3-5-9-15(13)17-11-12-18-16-10-6-4-8-14(16)2/h3-12H,1-2H3/b12-11-
InChIKeyYMQSCIFYFMOMTN-QXMHVHEDSA-N
MW272.44 g/mol
LogP5.66
Rot. Bonds4

About 1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene

1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene (PubChem CID 166447004) has the molecular formula C16H16S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene
PubChem CID166447004
Molecular FormulaC16H16S2
Molecular Weight272.44 g/mol
Exact Mass272.07
IUPAC Name1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene
SMILESCc1ccccc1S/C=C\Sc1ccccc1C
InChIInChI=1S/C16H16S2/c1-13-7-3-5-9-15(13)17-11-12-18-16-10-6-4-8-14(16)2/h3-12H,1-2H3/b12-11-
InChIKeyYMQSCIFYFMOMTN-QXMHVHEDSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene?
The IUPAC name of 1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene (CID 166447004) is 1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene.
What is the SMILES notation for 1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene?
The canonical SMILES for 1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene is Cc1ccccc1S/C=C\Sc1ccccc1C.
What is the InChIKey of 1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene?
The InChIKey is YMQSCIFYFMOMTN-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H16S2/c1-13-7-3-5-9-15(13)17-11-12-18-16-10-6-4-8-14(16)2/h3-12H,1-2H3/b12-11-.
What are the key properties of 1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene?
1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene has a molecular weight of 272.44 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene is sourced from PubChem (CID 166447004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).