azulen-1-ylmethanethiol

C11H10S — CID 90805831

IUPACazulen-1-ylmethanethiol
SMILESSCc1ccc2cccccc1-2
InChIInChI=1S/C11H10S/c12-8-10-7-6-9-4-2-1-3-5-11(9)10/h1-7,12H,8H2
InChIKeyYLOPOMIMASMFQR-UHFFFAOYSA-N
MW174.27 g/mol
LogP3.22
Rot. Bonds1

About azulen-1-ylmethanethiol

azulen-1-ylmethanethiol (PubChem CID 90805831) has the molecular formula C11H10S and a molecular weight of 174.27 g/mol. Its IUPAC name is azulen-1-ylmethanethiol.

Molecular Properties

Compound Nameazulen-1-ylmethanethiol
PubChem CID90805831
Molecular FormulaC11H10S
Molecular Weight174.27 g/mol
Exact Mass174.05
IUPAC Nameazulen-1-ylmethanethiol
SMILESSCc1ccc2cccccc1-2
InChIInChI=1S/C11H10S/c12-8-10-7-6-9-4-2-1-3-5-11(9)10/h1-7,12H,8H2
InChIKeyYLOPOMIMASMFQR-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-propylazulene
CID 10397225
1-phenyl-2-[(2-phenylphenyl)methyl]benzene
CID 54434316
3-azulen-1-ylprop-1-en-1-ol
CID 67644602
5-(2-phenylphenyl)pentane-1-thiol
CID 10753589
1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene
CID 57000067
2-[2-(4-phenylphenyl)phenyl]acetaldehyde
CID 87253874
ethane;(2-phenylphenyl)methanamine
CID 142592948
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
1,1'-biphenyl;phenylmethanethiol
CID 172707526
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013
1-ethyl-2,4-diphenylbenzene
CID 59359551

Frequently Asked Questions

What is the IUPAC name of azulen-1-ylmethanethiol?
The IUPAC name of azulen-1-ylmethanethiol (CID 90805831) is azulen-1-ylmethanethiol.
What is the SMILES notation for azulen-1-ylmethanethiol?
The canonical SMILES for azulen-1-ylmethanethiol is SCc1ccc2cccccc1-2.
What is the InChIKey of azulen-1-ylmethanethiol?
The InChIKey is YLOPOMIMASMFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S/c12-8-10-7-6-9-4-2-1-3-5-11(9)10/h1-7,12H,8H2.
What are the key properties of azulen-1-ylmethanethiol?
azulen-1-ylmethanethiol has a molecular weight of 174.27 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azulen-1-ylmethanethiol is sourced from PubChem (CID 90805831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).