(5-bromofuran-2-yl)methanethiol

C5H5BrOS — CID 20623923

IUPAC(5-bromofuran-2-yl)methanethiol
SMILESSCc1ccc(Br)o1
InChIInChI=1S/C5H5BrOS/c6-5-2-1-4(3-8)7-5/h1-2,8H,3H2
InChIKeyHACSUYFCNWUJMB-UHFFFAOYSA-N
MW193.06 g/mol
LogP2.47
Rot. Bonds1

About (5-bromofuran-2-yl)methanethiol

(5-bromofuran-2-yl)methanethiol (PubChem CID 20623923) has the molecular formula C5H5BrOS and a molecular weight of 193.06 g/mol. Its IUPAC name is (5-bromofuran-2-yl)methanethiol.

Molecular Properties

Compound Name(5-bromofuran-2-yl)methanethiol
PubChem CID20623923
Molecular FormulaC5H5BrOS
Molecular Weight193.06 g/mol
Exact Mass191.92
IUPAC Name(5-bromofuran-2-yl)methanethiol
SMILESSCc1ccc(Br)o1
InChIInChI=1S/C5H5BrOS/c6-5-2-1-4(3-8)7-5/h1-2,8H,3H2
InChIKeyHACSUYFCNWUJMB-UHFFFAOYSA-N
XLogP2.47
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.06
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)methanethiol?
The IUPAC name of (5-bromofuran-2-yl)methanethiol (CID 20623923) is (5-bromofuran-2-yl)methanethiol.
What is the SMILES notation for (5-bromofuran-2-yl)methanethiol?
The canonical SMILES for (5-bromofuran-2-yl)methanethiol is SCc1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)methanethiol?
The InChIKey is HACSUYFCNWUJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrOS/c6-5-2-1-4(3-8)7-5/h1-2,8H,3H2.
What are the key properties of (5-bromofuran-2-yl)methanethiol?
(5-bromofuran-2-yl)methanethiol has a molecular weight of 193.06 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)methanethiol is sourced from PubChem (CID 20623923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).