7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene

C14H14S — CID 86020256

IUPAC7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene
SMILESCc1ccc(SC2C=CC=CC=C2)cc1
InChIInChI=1S/C14H14S/c1-12-8-10-14(11-9-12)15-13-6-4-2-3-5-7-13/h2-11,13H,1H3
InChIKeyYUYIMHIMMFLDOA-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.14
Rot. Bonds2

About 7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene

7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene (PubChem CID 86020256) has the molecular formula C14H14S and a molecular weight of 214.33 g/mol. Its IUPAC name is 7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene
PubChem CID86020256
Molecular FormulaC14H14S
Molecular Weight214.33 g/mol
Exact Mass214.08
IUPAC Name7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene
SMILESCc1ccc(SC2C=CC=CC=C2)cc1
InChIInChI=1S/C14H14S/c1-12-8-10-14(11-9-12)15-13-6-4-2-3-5-7-13/h2-11,13H,1H3
InChIKeyYUYIMHIMMFLDOA-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 138059061
trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol
CID 12791403
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
4-(4-methylphenyl)sulfanylcyclohexan-1-one
CID 10331073
3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
CID 64736364
(1R,2S,4R,5S,6S)-2-methyl-4-(4-methylphenyl)sulfanyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 25270676
N-methylmethanamine;1,4-xylene
CID 66760370
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
CID 130214671
sodium 1-methyl-4-sulfenatobenzene
CID 23670069
potassium;azanide;1-methyl-4-methylsulfanylbenzene
CID 164525020

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene?
The IUPAC name of 7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene (CID 86020256) is 7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene.
What is the SMILES notation for 7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene?
The canonical SMILES for 7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene is Cc1ccc(SC2C=CC=CC=C2)cc1.
What is the InChIKey of 7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene?
The InChIKey is YUYIMHIMMFLDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S/c1-12-8-10-14(11-9-12)15-13-6-4-2-3-5-7-13/h2-11,13H,1H3.
What are the key properties of 7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene?
7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene has a molecular weight of 214.33 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene is sourced from PubChem (CID 86020256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).