6-(2-benzylphenyl)hexane-1-thiol

C19H24S — CID 10850649

IUPAC6-(2-benzylphenyl)hexane-1-thiol
SMILESSCCCCCCc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H24S/c20-15-9-2-1-6-12-18-13-7-8-14-19(18)16-17-10-4-3-5-11-17/h3-5,7-8,10-11,13-14,20H,1-2,6,9,12,15-16H2
InChIKeyVYFRHIYIVLACPG-UHFFFAOYSA-N
MW284.47 g/mol
LogP5.31
Rot. Bonds8

About 6-(2-benzylphenyl)hexane-1-thiol

6-(2-benzylphenyl)hexane-1-thiol (PubChem CID 10850649) has the molecular formula C19H24S and a molecular weight of 284.47 g/mol. Its IUPAC name is 6-(2-benzylphenyl)hexane-1-thiol.

Molecular Properties

Compound Name6-(2-benzylphenyl)hexane-1-thiol
PubChem CID10850649
Molecular FormulaC19H24S
Molecular Weight284.47 g/mol
Exact Mass284.16
IUPAC Name6-(2-benzylphenyl)hexane-1-thiol
SMILESSCCCCCCc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H24S/c20-15-9-2-1-6-12-18-13-7-8-14-19(18)16-17-10-4-3-5-11-17/h3-5,7-8,10-11,13-14,20H,1-2,6,9,12,15-16H2
InChIKeyVYFRHIYIVLACPG-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.47
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[(2-octylphenyl)methyl]benzene
CID 22921262
5-(2-phenylphenyl)pentane-1-thiol
CID 10753589
2-(2-benzylphenyl)ethanol;ethane
CID 145371338
5-[2-(5-sulfanylpentoxy)phenyl]pentane-1-thiol
CID 147977674
1,4-dibenzyl-2-octylbenzene
CID 22921224
5-[4-(5-sulfanylpentyl)phenyl]pentane-1-thiol
CID 91071669
2-(12-phenyldodecyl)phenol
CID 70505621
(2-octylphenyl)methanethiol
CID 173166985
1-fluoro-2-(5-phenylpentyl)benzene
CID 90957769
4-[4-butyl-3-(4-sulfanylbutyl)phenyl]butane-1-thiol
CID 88742598
1-nonyl-2-pentylbenzene
CID 54050070
1-dodecyl-2-hexylbenzene
CID 19371073

Frequently Asked Questions

What is the IUPAC name of 6-(2-benzylphenyl)hexane-1-thiol?
The IUPAC name of 6-(2-benzylphenyl)hexane-1-thiol (CID 10850649) is 6-(2-benzylphenyl)hexane-1-thiol.
What is the SMILES notation for 6-(2-benzylphenyl)hexane-1-thiol?
The canonical SMILES for 6-(2-benzylphenyl)hexane-1-thiol is SCCCCCCc1ccccc1Cc1ccccc1.
What is the InChIKey of 6-(2-benzylphenyl)hexane-1-thiol?
The InChIKey is VYFRHIYIVLACPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24S/c20-15-9-2-1-6-12-18-13-7-8-14-19(18)16-17-10-4-3-5-11-17/h3-5,7-8,10-11,13-14,20H,1-2,6,9,12,15-16H2.
What are the key properties of 6-(2-benzylphenyl)hexane-1-thiol?
6-(2-benzylphenyl)hexane-1-thiol has a molecular weight of 284.47 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-benzylphenyl)hexane-1-thiol is sourced from PubChem (CID 10850649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).