1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole

C8H12N2OS — CID 164876722

IUPAC1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole
SMILESC[C@@H](C1CC1)n1ccnc1SO
InChIInChI=1S/C8H12N2OS/c1-6(7-2-3-7)10-5-4-9-8(10)12-11/h4-7,11H,2-3H2,1H3/t6-/m0/s1
InChIKeyREOPSWSEZFRZOP-LURJTMIESA-N
MW184.26 g/mol
LogP2.42
Rot. Bonds3

About 1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole

1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole (PubChem CID 164876722) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole
PubChem CID164876722
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole
SMILESC[C@@H](C1CC1)n1ccnc1SO
InChIInChI=1S/C8H12N2OS/c1-6(7-2-3-7)10-5-4-9-8(10)12-11/h4-7,11H,2-3H2,1H3/t6-/m0/s1
InChIKeyREOPSWSEZFRZOP-LURJTMIESA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole?
The IUPAC name of 1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole (CID 164876722) is 1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole.
What is the SMILES notation for 1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole?
The canonical SMILES for 1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole is C[C@@H](C1CC1)n1ccnc1SO.
What is the InChIKey of 1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole?
The InChIKey is REOPSWSEZFRZOP-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6(7-2-3-7)10-5-4-9-8(10)12-11/h4-7,11H,2-3H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole?
1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole has a molecular weight of 184.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropylethyl]-2-hydroxysulfanylimidazole is sourced from PubChem (CID 164876722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).