(3-methoxyfuran-2-yl)methanethiol

C6H8O2S — CID 91874217

IUPAC(3-methoxyfuran-2-yl)methanethiol
SMILESCOc1ccoc1CS
InChIInChI=1S/C6H8O2S/c1-7-5-2-3-8-6(5)4-9/h2-3,9H,4H2,1H3
InChIKeyJQQIIUYJGQZVDG-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.72
Rot. Bonds2

About (3-methoxyfuran-2-yl)methanethiol

(3-methoxyfuran-2-yl)methanethiol (PubChem CID 91874217) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is (3-methoxyfuran-2-yl)methanethiol.

Molecular Properties

Compound Name(3-methoxyfuran-2-yl)methanethiol
PubChem CID91874217
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Name(3-methoxyfuran-2-yl)methanethiol
SMILESCOc1ccoc1CS
InChIInChI=1S/C6H8O2S/c1-7-5-2-3-8-6(5)4-9/h2-3,9H,4H2,1H3
InChIKeyJQQIIUYJGQZVDG-UHFFFAOYSA-N
XLogP1.72
TPSA22.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyfuran-2-yl)acetonitrile
CID 119088486
3-(3-methoxyfuran-2-yl)propan-1-amine
CID 166040043
3-methoxyfuran-2-thiol
CID 173178330
(3-ethylfuran-2-yl)methanethiol
CID 89321498
3-methoxyfuran-2-amine
CID 69333703
2-ethoxy-3-methoxyfuran
CID 154198368
5-(3-methoxyfuran-2-yl)pentanoic acid;methyl 5-(3-methoxyfuran-2-yl)pentanoate
CID 161246757
[3-(2,6-dimethoxyphenyl)furan-2-yl]methanamine
CID 106888051
(3aR,5R,6S,6aR)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 18597849
1-(3-methoxyfuran-2-yl)ethanone
CID 23271201
(2R)-2-amino-2-(3-methoxyfuran-2-yl)ethanol
CID 130713967
1-[3-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 106888684

Frequently Asked Questions

What is the IUPAC name of (3-methoxyfuran-2-yl)methanethiol?
The IUPAC name of (3-methoxyfuran-2-yl)methanethiol (CID 91874217) is (3-methoxyfuran-2-yl)methanethiol.
What is the SMILES notation for (3-methoxyfuran-2-yl)methanethiol?
The canonical SMILES for (3-methoxyfuran-2-yl)methanethiol is COc1ccoc1CS.
What is the InChIKey of (3-methoxyfuran-2-yl)methanethiol?
The InChIKey is JQQIIUYJGQZVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S/c1-7-5-2-3-8-6(5)4-9/h2-3,9H,4H2,1H3.
What are the key properties of (3-methoxyfuran-2-yl)methanethiol?
(3-methoxyfuran-2-yl)methanethiol has a molecular weight of 144.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyfuran-2-yl)methanethiol is sourced from PubChem (CID 91874217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).