2-(1H-pyrazol-5-yl)ethanethiol

C5H8N2S — CID 90977804

IUPAC2-(1H-pyrazol-5-yl)ethanethiol
SMILESSCCc1ccn[nH]1
InChIInChI=1S/C5H8N2S/c8-4-2-5-1-3-6-7-5/h1,3,8H,2,4H2,(H,6,7)
InChIKeyPWTGNNLZRKUTNJ-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.88
Rot. Bonds2

About 2-(1H-pyrazol-5-yl)ethanethiol

2-(1H-pyrazol-5-yl)ethanethiol (PubChem CID 90977804) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)ethanethiol.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)ethanethiol
PubChem CID90977804
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name2-(1H-pyrazol-5-yl)ethanethiol
SMILESSCCc1ccn[nH]1
InChIInChI=1S/C5H8N2S/c8-4-2-5-1-3-6-7-5/h1,3,8H,2,4H2,(H,6,7)
InChIKeyPWTGNNLZRKUTNJ-UHFFFAOYSA-N
XLogP0.88
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bromoethyl)-1H-pyrazole
CID 565479
5-pentyl-1H-pyrazole
CID 13433979
5-[3-[3-(1H-pyrazol-5-yl)propoxy]propyl]-1H-pyrazole
CID 175090190
3-(1H-pyrazol-5-yl)propanenitrile
CID 59681732
5-(3,3,3-trifluoropropyl)-1H-pyrazole
CID 122483416
methyl-[2-(1H-pyrazol-5-yl)ethyl]borinic acid
CID 159593056
ethane;5-(2-methoxyethyl)-1H-pyrazole
CID 170603937
5-(2-methylsulfinylethyl)-1H-pyrazole
CID 137377880
3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide
CID 175345589
N-ethyl-2-(1H-pyrazol-5-yl)ethanamine
CID 57167438
5-hexyl-1H-pyrazole;hydrobromide
CID 174992148
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)ethanethiol?
The IUPAC name of 2-(1H-pyrazol-5-yl)ethanethiol (CID 90977804) is 2-(1H-pyrazol-5-yl)ethanethiol.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)ethanethiol?
The canonical SMILES for 2-(1H-pyrazol-5-yl)ethanethiol is SCCc1ccn[nH]1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)ethanethiol?
The InChIKey is PWTGNNLZRKUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c8-4-2-5-1-3-6-7-5/h1,3,8H,2,4H2,(H,6,7).
What are the key properties of 2-(1H-pyrazol-5-yl)ethanethiol?
2-(1H-pyrazol-5-yl)ethanethiol has a molecular weight of 128.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)ethanethiol is sourced from PubChem (CID 90977804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).