3-(5-methylfuran-2-yl)propane-1-thiol

C8H12OS — CID 83694727

IUPAC3-(5-methylfuran-2-yl)propane-1-thiol
SMILESCc1ccc(CCCS)o1
InChIInChI=1S/C8H12OS/c1-7-4-5-8(9-7)3-2-6-10/h4-5,10H,2-3,6H2,1H3
InChIKeyJYUUQDQEVDCBOP-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.45
Rot. Bonds3

About 3-(5-methylfuran-2-yl)propane-1-thiol

3-(5-methylfuran-2-yl)propane-1-thiol (PubChem CID 83694727) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)propane-1-thiol.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)propane-1-thiol
PubChem CID83694727
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name3-(5-methylfuran-2-yl)propane-1-thiol
SMILESCc1ccc(CCCS)o1
InChIInChI=1S/C8H12OS/c1-7-4-5-8(9-7)3-2-6-10/h4-5,10H,2-3,6H2,1H3
InChIKeyJYUUQDQEVDCBOP-UHFFFAOYSA-N
XLogP2.45
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.45
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

2-methyl-5-(4,4,4-trifluorobutyl)furan
CID 142883029
ethane;2-(5-methylfuran-2-yl)ethanol
CID 142104864
7-(5-methylfuran-2-yl)-4-oxoheptanamide
CID 163809380
hydroxy-dimethyl-[2-methyl-5-(5-methylfuran-2-yl)pentan-2-yl]silane
CID 71043343
sodium 5-[3-(5-methylfuran-2-yl)propyl]furan-2-sulfonate
CID 157129355
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501
3-(furan-2-yl)propane-1-thiol
CID 12549643
1-[3-(5-methylfuran-2-yl)propyl]piperazine
CID 82161568
2-(3-ethyl-3-methylpentyl)-5-methylfuran
CID 54437486
N-[2-(5-methylfuran-2-yl)ethoxy]methanamine
CID 117126878
1-[4-(5-methylfuran-2-yl)butyl]piperazine
CID 116928635
azane;(5-methylfuran-2-yl)methanol
CID 175565780

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)propane-1-thiol?
The IUPAC name of 3-(5-methylfuran-2-yl)propane-1-thiol (CID 83694727) is 3-(5-methylfuran-2-yl)propane-1-thiol.
What is the SMILES notation for 3-(5-methylfuran-2-yl)propane-1-thiol?
The canonical SMILES for 3-(5-methylfuran-2-yl)propane-1-thiol is Cc1ccc(CCCS)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)propane-1-thiol?
The InChIKey is JYUUQDQEVDCBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-7-4-5-8(9-7)3-2-6-10/h4-5,10H,2-3,6H2,1H3.
What are the key properties of 3-(5-methylfuran-2-yl)propane-1-thiol?
3-(5-methylfuran-2-yl)propane-1-thiol has a molecular weight of 156.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)propane-1-thiol is sourced from PubChem (CID 83694727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).