4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol

C11H12OS — CID 162435420

IUPAC4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol
SMILESSc1ccc(C2=CCOCC2)cc1
InChIInChI=1S/C11H12OS/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-5,13H,6-8H2
InChIKeyHBPXESWZDVBLAP-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.78
Rot. Bonds1

About 4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol

4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol (PubChem CID 162435420) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol
PubChem CID162435420
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol
SMILESSc1ccc(C2=CCOCC2)cc1
InChIInChI=1S/C11H12OS/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-5,13H,6-8H2
InChIKeyHBPXESWZDVBLAP-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-3,6-dihydro-2H-pyran
CID 91180131
4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran
CID 166005450
4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane
CID 143899778
N-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine
CID 144987004
N-(2-chloroethyl)-4-(3,6-dihydro-2H-pyran-4-yl)benzenesulfonamide
CID 162435558
[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone
CID 167974245
4-(2-bromophenyl)-3,6-dihydro-2H-pyran
CID 22503115
3,6-dihydro-2H-pyran-4-ylphosphane
CID 163247007
ethane;4-(5-methylthiophen-2-yl)-3,6-dihydro-2H-pyran
CID 168899149
1-[5-(3,6-dihydro-2H-pyran-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine;hydrochloride
CID 171059519
4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoroaniline
CID 22625755
4-(3,6-dihydro-2H-pyran-4-yl)-2-(2-methylpentan-3-yl)pyridine
CID 156639254

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol?
The IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol (CID 162435420) is 4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol?
The canonical SMILES for 4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol is Sc1ccc(C2=CCOCC2)cc1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol?
The InChIKey is HBPXESWZDVBLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-5,13H,6-8H2.
What are the key properties of 4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol?
4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol has a molecular weight of 192.28 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol is sourced from PubChem (CID 162435420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).