1-(furan-2-yl)propane-1-thiol

C7H10OS — CID 62631809

IUPAC1-(furan-2-yl)propane-1-thiol
SMILESCCC(S)c1ccco1
InChIInChI=1S/C7H10OS/c1-2-7(9)6-4-3-5-8-6/h3-5,7,9H,2H2,1H3
InChIKeyNTXSOKRONRHBCV-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.66
Rot. Bonds2

About 1-(furan-2-yl)propane-1-thiol

1-(furan-2-yl)propane-1-thiol (PubChem CID 62631809) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 1-(furan-2-yl)propane-1-thiol.

Molecular Properties

Compound Name1-(furan-2-yl)propane-1-thiol
PubChem CID62631809
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name1-(furan-2-yl)propane-1-thiol
SMILESCCC(S)c1ccco1
InChIInChI=1S/C7H10OS/c1-2-7(9)6-4-3-5-8-6/h3-5,7,9H,2H2,1H3
InChIKeyNTXSOKRONRHBCV-UHFFFAOYSA-N
XLogP2.66
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.66
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

1-(furan-2-yl)ethane-1,2-dithiol
CID 123681652
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
1-(furan-2-yl)-2-phenylbutan-1-ol
CID 115797511
(1E)-2-(furan-2-yl)-N-hydroxybutanimidoyl chloride
CID 10535600
1-(furan-2-yl)propyl prop-2-enoate
CID 140979889
(2R)-2-[1-(furan-2-yl)ethylamino]butan-1-ol
CID 103922442
(2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol
CID 104980626
5-(furan-2-yl)-3-methylheptan-3-ol
CID 14952522
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
4-chloro-4-(furan-2-yl)butan-2-one
CID 70536237
1-(furan-2-yl)decan-1-ol
CID 11085452

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)propane-1-thiol?
The IUPAC name of 1-(furan-2-yl)propane-1-thiol (CID 62631809) is 1-(furan-2-yl)propane-1-thiol.
What is the SMILES notation for 1-(furan-2-yl)propane-1-thiol?
The canonical SMILES for 1-(furan-2-yl)propane-1-thiol is CCC(S)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)propane-1-thiol?
The InChIKey is NTXSOKRONRHBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-2-7(9)6-4-3-5-8-6/h3-5,7,9H,2H2,1H3.
What are the key properties of 1-(furan-2-yl)propane-1-thiol?
1-(furan-2-yl)propane-1-thiol has a molecular weight of 142.22 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)propane-1-thiol is sourced from PubChem (CID 62631809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).