5-(2-phenylphenyl)pentane-1-thiol

C17H20S — CID 10753589

IUPAC5-(2-phenylphenyl)pentane-1-thiol
SMILESSCCCCCc1ccccc1-c1ccccc1
InChIInChI=1S/C17H20S/c18-14-8-2-5-11-16-12-6-7-13-17(16)15-9-3-1-4-10-15/h1,3-4,6-7,9-10,12-13,18H,2,5,8,11,14H2
InChIKeyXIBWEJHNYHGXQR-UHFFFAOYSA-N
MW256.41 g/mol
LogP5.00
Rot. Bonds6

About 5-(2-phenylphenyl)pentane-1-thiol

5-(2-phenylphenyl)pentane-1-thiol (PubChem CID 10753589) has the molecular formula C17H20S and a molecular weight of 256.41 g/mol. Its IUPAC name is 5-(2-phenylphenyl)pentane-1-thiol.

Molecular Properties

Compound Name5-(2-phenylphenyl)pentane-1-thiol
PubChem CID10753589
Molecular FormulaC17H20S
Molecular Weight256.41 g/mol
Exact Mass256.13
IUPAC Name5-(2-phenylphenyl)pentane-1-thiol
SMILESSCCCCCc1ccccc1-c1ccccc1
InChIInChI=1S/C17H20S/c18-14-8-2-5-11-16-12-6-7-13-17(16)15-9-3-1-4-10-15/h1,3-4,6-7,9-10,12-13,18H,2,5,8,11,14H2
InChIKeyXIBWEJHNYHGXQR-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 55.00
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-phenyl-2-[3-(2-phenylphenyl)propyl]benzene
CID 57000067
gold;1-pentyl-2-phenylbenzene
CID 174945702
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
6-(2-benzylphenyl)hexane-1-thiol
CID 10850649
1-pent-4-ynyl-2-phenylbenzene
CID 174539283
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
carbonic acid;1-(6-methylheptyl)-2-phenylbenzene
CID 159621881
5-(9H-fluoren-1-yl)pentane-1-thiol
CID 141354890
1-phenyl-2-[(2-phenylphenyl)methyl]benzene
CID 54434316
azulen-1-ylmethanethiol
CID 90805831

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylphenyl)pentane-1-thiol?
The IUPAC name of 5-(2-phenylphenyl)pentane-1-thiol (CID 10753589) is 5-(2-phenylphenyl)pentane-1-thiol.
What is the SMILES notation for 5-(2-phenylphenyl)pentane-1-thiol?
The canonical SMILES for 5-(2-phenylphenyl)pentane-1-thiol is SCCCCCc1ccccc1-c1ccccc1.
What is the InChIKey of 5-(2-phenylphenyl)pentane-1-thiol?
The InChIKey is XIBWEJHNYHGXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20S/c18-14-8-2-5-11-16-12-6-7-13-17(16)15-9-3-1-4-10-15/h1,3-4,6-7,9-10,12-13,18H,2,5,8,11,14H2.
What are the key properties of 5-(2-phenylphenyl)pentane-1-thiol?
5-(2-phenylphenyl)pentane-1-thiol has a molecular weight of 256.41 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylphenyl)pentane-1-thiol is sourced from PubChem (CID 10753589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).