2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol

C7H12N2S2 — CID 14611372

IUPAC2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol
SMILESSCCc1cnc(CCS)[nH]1
InChIInChI=1S/C7H12N2S2/c10-3-1-6-5-8-7(9-6)2-4-11/h5,10-11H,1-4H2,(H,8,9)
InChIKeyLTYVVBRXIRWAFR-UHFFFAOYSA-N
MW188.32 g/mol
LogP1.35
Rot. Bonds4

About 2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol

2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol (PubChem CID 14611372) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol.

Molecular Properties

Compound Name2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol
PubChem CID14611372
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC Name2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol
SMILESSCCc1cnc(CCS)[nH]1
InChIInChI=1S/C7H12N2S2/c10-3-1-6-5-8-7(9-6)2-4-11/h5,10-11H,1-4H2,(H,8,9)
InChIKeyLTYVVBRXIRWAFR-UHFFFAOYSA-N
XLogP1.35
TPSA28.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol?
The IUPAC name of 2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol (CID 14611372) is 2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol.
What is the SMILES notation for 2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol?
The canonical SMILES for 2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol is SCCc1cnc(CCS)[nH]1.
What is the InChIKey of 2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol?
The InChIKey is LTYVVBRXIRWAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S2/c10-3-1-6-5-8-7(9-6)2-4-11/h5,10-11H,1-4H2,(H,8,9).
What are the key properties of 2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol?
2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol has a molecular weight of 188.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]ethanethiol is sourced from PubChem (CID 14611372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).