(5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol

C5H8N2OS — CID 130569000

IUPAC(5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol
SMILESCCc1nc(CS)no1
InChIInChI=1S/C5H8N2OS/c1-2-5-6-4(3-9)7-8-5/h9H,2-3H2,1H3
InChIKeyYWWJVBWRRGQGGR-UHFFFAOYSA-N
MW144.20 g/mol
LogP1.06
Rot. Bonds2

About (5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol

(5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol (PubChem CID 130569000) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is (5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol.

Molecular Properties

Compound Name(5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol
PubChem CID130569000
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name(5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol
SMILESCCc1nc(CS)no1
InChIInChI=1S/C5H8N2OS/c1-2-5-6-4(3-9)7-8-5/h9H,2-3H2,1H3
InChIKeyYWWJVBWRRGQGGR-UHFFFAOYSA-N
XLogP1.06
TPSA38.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole
CID 64787979
3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole
CID 19928671
1-(5-ethyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955452
5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole
CID 161311247
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]pentan-3-amine
CID 115888896
(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 151668705
N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687933
5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole
CID 58059649
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-1-amine
CID 66220275
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol
CID 115638140
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 91842487
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]butan-2-amine
CID 66229905

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol?
The IUPAC name of (5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol (CID 130569000) is (5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol.
What is the SMILES notation for (5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol?
The canonical SMILES for (5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol is CCc1nc(CS)no1.
What is the InChIKey of (5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol?
The InChIKey is YWWJVBWRRGQGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-2-5-6-4(3-9)7-8-5/h9H,2-3H2,1H3.
What are the key properties of (5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol?
(5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol has a molecular weight of 144.20 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol is sourced from PubChem (CID 130569000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).