1,4-bis(cyclohexylsulfanylmethyl)benzene

C20H30S2 — CID 90723558

IUPAC1,4-bis(cyclohexylsulfanylmethyl)benzene
SMILESc1cc(CSC2CCCCC2)ccc1CSC1CCCCC1
InChIInChI=1S/C20H30S2/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20/h11-14,19-20H,1-10,15-16H2
InChIKeyUYLUMFOXLCPARW-UHFFFAOYSA-N
MW334.59 g/mol
LogP6.82
Rot. Bonds6

About 1,4-bis(cyclohexylsulfanylmethyl)benzene

1,4-bis(cyclohexylsulfanylmethyl)benzene (PubChem CID 90723558) has the molecular formula C20H30S2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 1,4-bis(cyclohexylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1,4-bis(cyclohexylsulfanylmethyl)benzene
PubChem CID90723558
Molecular FormulaC20H30S2
Molecular Weight334.59 g/mol
Exact Mass334.18
IUPAC Name1,4-bis(cyclohexylsulfanylmethyl)benzene
SMILESc1cc(CSC2CCCCC2)ccc1CSC1CCCCC1
InChIInChI=1S/C20H30S2/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20/h11-14,19-20H,1-10,15-16H2
InChIKeyUYLUMFOXLCPARW-UHFFFAOYSA-N
XLogP6.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(cyclohexylsulfanylmethyl)benzene?
The IUPAC name of 1,4-bis(cyclohexylsulfanylmethyl)benzene (CID 90723558) is 1,4-bis(cyclohexylsulfanylmethyl)benzene.
What is the SMILES notation for 1,4-bis(cyclohexylsulfanylmethyl)benzene?
The canonical SMILES for 1,4-bis(cyclohexylsulfanylmethyl)benzene is c1cc(CSC2CCCCC2)ccc1CSC1CCCCC1.
What is the InChIKey of 1,4-bis(cyclohexylsulfanylmethyl)benzene?
The InChIKey is UYLUMFOXLCPARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30S2/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20/h11-14,19-20H,1-10,15-16H2.
What are the key properties of 1,4-bis(cyclohexylsulfanylmethyl)benzene?
1,4-bis(cyclohexylsulfanylmethyl)benzene has a molecular weight of 334.59 g/mol, XLogP of 6.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(cyclohexylsulfanylmethyl)benzene is sourced from PubChem (CID 90723558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).