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

C7H10OS — CID 12549643

IUPAC3-(furan-2-yl)propane-1-thiol
SMILESSCCCc1ccco1
InChIInChI=1S/C7H10OS/c9-6-2-4-7-3-1-5-8-7/h1,3,5,9H,2,4,6H2
InChIKeyHGCXZCVLXNZRNV-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.14
Rot. Bonds3

About 3-(furan-2-yl)propane-1-thiol

3-(furan-2-yl)propane-1-thiol (PubChem CID 12549643) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 3-(furan-2-yl)propane-1-thiol.

Molecular Properties

Compound Name3-(furan-2-yl)propane-1-thiol
PubChem CID12549643
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name3-(furan-2-yl)propane-1-thiol
SMILESSCCCc1ccco1
InChIInChI=1S/C7H10OS/c9-6-2-4-7-3-1-5-8-7/h1,3,5,9H,2,4,6H2
InChIKeyHGCXZCVLXNZRNV-UHFFFAOYSA-N
XLogP2.14
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.14
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-(3-chloropropyl)furan
CID 12549641
furan-2-ylmethanethiol
CID 158949317
11-(furan-2-yl)undecan-1-ol
CID 139763920
4-(furan-2-yl)butanal
CID 14455558
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204
ethane;2-(3-methoxypropyl)furan
CID 144595726
2-non-4-ynylfuran
CID 102274443
N-[3-(furan-2-yl)propyl]formamide
CID 87322197
furan-2-ylmethyl 4-sulfanylbutanoate
CID 89395798
1-[3-(furan-2-yl)propyl]piperidine
CID 162740839
2-(3-naphthalen-1-ylpropyl)furan
CID 102292642
2-(2-methoxyethyl)furan
CID 19010334

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)propane-1-thiol?
The IUPAC name of 3-(furan-2-yl)propane-1-thiol (CID 12549643) is 3-(furan-2-yl)propane-1-thiol.
What is the SMILES notation for 3-(furan-2-yl)propane-1-thiol?
The canonical SMILES for 3-(furan-2-yl)propane-1-thiol is SCCCc1ccco1.
What is the InChIKey of 3-(furan-2-yl)propane-1-thiol?
The InChIKey is HGCXZCVLXNZRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c9-6-2-4-7-3-1-5-8-7/h1,3,5,9H,2,4,6H2.
What are the key properties of 3-(furan-2-yl)propane-1-thiol?
3-(furan-2-yl)propane-1-thiol has a molecular weight of 142.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)propane-1-thiol is sourced from PubChem (CID 12549643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).