(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol

C6H8N2S — CID 10855545

IUPAC(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol
SMILESS[C@H]1Cc2nccn2C1
InChIInChI=1S/C6H8N2S/c9-5-3-6-7-1-2-8(6)4-5/h1-2,5,9H,3-4H2/t5-/m0/s1
InChIKeySVGHIJCMRDZNCP-YFKPBYRVSA-N
MW140.21 g/mol
LogP0.74
Rot. Bonds

About (6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol

(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol (PubChem CID 10855545) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is (6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol.

Molecular Properties

Compound Name(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol
PubChem CID10855545
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol
SMILESS[C@H]1Cc2nccn2C1
InChIInChI=1S/C6H8N2S/c9-5-3-6-7-1-2-8(6)4-5/h1-2,5,9H,3-4H2/t5-/m0/s1
InChIKeySVGHIJCMRDZNCP-YFKPBYRVSA-N
XLogP0.74
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
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 (6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol?
The IUPAC name of (6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol (CID 10855545) is (6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol.
What is the SMILES notation for (6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol?
The canonical SMILES for (6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol is S[C@H]1Cc2nccn2C1.
What is the InChIKey of (6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol?
The InChIKey is SVGHIJCMRDZNCP-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8N2S/c9-5-3-6-7-1-2-8(6)4-5/h1-2,5,9H,3-4H2/t5-/m0/s1.
What are the key properties of (6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol?
(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol has a molecular weight of 140.21 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol is sourced from PubChem (CID 10855545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).