10-anthracen-2-yloxydecane-1-thiol

C24H30OS — CID 10808920

IUPAC10-anthracen-2-yloxydecane-1-thiol
SMILESSCCCCCCCCCCOc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C24H30OS/c26-16-10-6-4-2-1-3-5-9-15-25-24-14-13-22-17-20-11-7-8-12-21(20)18-23(22)19-24/h7-8,11-14,17-19,26H,1-6,9-10,15-16H2
InChIKeyNHJLNHNYXBBEQH-UHFFFAOYSA-N
MW366.57 g/mol
LogP7.42
Rot. Bonds11

About 10-anthracen-2-yloxydecane-1-thiol

10-anthracen-2-yloxydecane-1-thiol (PubChem CID 10808920) has the molecular formula C24H30OS and a molecular weight of 366.57 g/mol. Its IUPAC name is 10-anthracen-2-yloxydecane-1-thiol.

Molecular Properties

Compound Name10-anthracen-2-yloxydecane-1-thiol
PubChem CID10808920
Molecular FormulaC24H30OS
Molecular Weight366.57 g/mol
Exact Mass366.20
IUPAC Name10-anthracen-2-yloxydecane-1-thiol
SMILESSCCCCCCCCCCOc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C24H30OS/c26-16-10-6-4-2-1-3-5-9-15-25-24-14-13-22-17-20-11-7-8-12-21(20)18-23(22)19-24/h7-8,11-14,17-19,26H,1-6,9-10,15-16H2
InChIKeyNHJLNHNYXBBEQH-UHFFFAOYSA-N
XLogP7.42
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.57
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(9-bromononoxy)naphthalene
CID 105343234
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
2-(7,7,7-trifluoroheptoxy)naphthalene
CID 134838643
3-quinolin-7-yloxypropane-1-thiol
CID 107315768
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
CID 118363614
11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
methyl(4-naphthalen-2-yloxybutyl)azanium
CID 7454605
9-(3-fluoro-4-methylphenoxy)nonane-1-thiol
CID 107171679
2-(3-phenylpropoxy)naphthalene
CID 13432986

Frequently Asked Questions

What is the IUPAC name of 10-anthracen-2-yloxydecane-1-thiol?
The IUPAC name of 10-anthracen-2-yloxydecane-1-thiol (CID 10808920) is 10-anthracen-2-yloxydecane-1-thiol.
What is the SMILES notation for 10-anthracen-2-yloxydecane-1-thiol?
The canonical SMILES for 10-anthracen-2-yloxydecane-1-thiol is SCCCCCCCCCCOc1ccc2cc3ccccc3cc2c1.
What is the InChIKey of 10-anthracen-2-yloxydecane-1-thiol?
The InChIKey is NHJLNHNYXBBEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30OS/c26-16-10-6-4-2-1-3-5-9-15-25-24-14-13-22-17-20-11-7-8-12-21(20)18-23(22)19-24/h7-8,11-14,17-19,26H,1-6,9-10,15-16H2.
What are the key properties of 10-anthracen-2-yloxydecane-1-thiol?
10-anthracen-2-yloxydecane-1-thiol has a molecular weight of 366.57 g/mol, XLogP of 7.42, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-anthracen-2-yloxydecane-1-thiol is sourced from PubChem (CID 10808920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).