2,3-dihydrofuran-2-ylmethanethiol

C5H8OS — CID 142762796

IUPAC2,3-dihydrofuran-2-ylmethanethiol
SMILESSCC1CC=CO1
InChIInChI=1S/C5H8OS/c7-4-5-2-1-3-6-5/h1,3,5,7H,2,4H2
InChIKeyMNAKXWFBRZWUMU-UHFFFAOYSA-N
MW116.19 g/mol
LogP1.22
Rot. Bonds1

About 2,3-dihydrofuran-2-ylmethanethiol

2,3-dihydrofuran-2-ylmethanethiol (PubChem CID 142762796) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 2,3-dihydrofuran-2-ylmethanethiol.

Molecular Properties

Compound Name2,3-dihydrofuran-2-ylmethanethiol
PubChem CID142762796
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name2,3-dihydrofuran-2-ylmethanethiol
SMILESSCC1CC=CO1
InChIInChI=1S/C5H8OS/c7-4-5-2-1-3-6-5/h1,3,5,7H,2,4H2
InChIKeyMNAKXWFBRZWUMU-UHFFFAOYSA-N
XLogP1.22
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.22
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-Methylfuranthiol
CID 87489861
2-Methyl-2,3-dihydrofuran-3-thiol
CID 524174
bis-(2-Methyldihydrofuryl-3-) disulfide
CID 524178
2-Methyl-2-(methyl dithio}furan
CID 129681576
2,3-Dihydrofuran-2-thiol
CID 18319468
2-Methyl-2,3-dihydrofuran-4-thiol
CID 20362510
2,3-Dihydrofuran-3-thiol
CID 21401493
(2-methyl-3H-furan-2-yl)methanethiol
CID 21537124
2,5-Dimethyl-2,3-dihydrofuran-3-thiol
CID 22472236
2-Propan-2-yl-2,3-dihydrofuran-3-thiol
CID 22472243
2-Ethyl-2,3-dihydrofuran-3-thiol
CID 22472244
2-Propyl-2,3-dihydrofuran-3-thiol
CID 22472252

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-2-ylmethanethiol?
The IUPAC name of 2,3-dihydrofuran-2-ylmethanethiol (CID 142762796) is 2,3-dihydrofuran-2-ylmethanethiol.
What is the SMILES notation for 2,3-dihydrofuran-2-ylmethanethiol?
The canonical SMILES for 2,3-dihydrofuran-2-ylmethanethiol is SCC1CC=CO1.
What is the InChIKey of 2,3-dihydrofuran-2-ylmethanethiol?
The InChIKey is MNAKXWFBRZWUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c7-4-5-2-1-3-6-5/h1,3,5,7H,2,4H2.
What are the key properties of 2,3-dihydrofuran-2-ylmethanethiol?
2,3-dihydrofuran-2-ylmethanethiol has a molecular weight of 116.19 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-2-ylmethanethiol is sourced from PubChem (CID 142762796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).