1H-imidazol-2-yloxymethanethiol

C4H6N2OS — CID 151803159

IUPAC1H-imidazol-2-yloxymethanethiol
SMILESSCOc1ncc[nH]1
InChIInChI=1S/C4H6N2OS/c8-3-7-4-5-1-2-6-4/h1-2,8H,3H2,(H,5,6)
InChIKeyRZAUFKKAURQOFI-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.68
Rot. Bonds2

About 1H-imidazol-2-yloxymethanethiol

1H-imidazol-2-yloxymethanethiol (PubChem CID 151803159) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 1H-imidazol-2-yloxymethanethiol.

Molecular Properties

Compound Name1H-imidazol-2-yloxymethanethiol
PubChem CID151803159
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name1H-imidazol-2-yloxymethanethiol
SMILESSCOc1ncc[nH]1
InChIInChI=1S/C4H6N2OS/c8-3-7-4-5-1-2-6-4/h1-2,8H,3H2,(H,5,6)
InChIKeyRZAUFKKAURQOFI-UHFFFAOYSA-N
XLogP0.68
TPSA37.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1H-imidazol-2-yloxymethanamine
CID 145126650
2-methoxy-1H-imidazole
CID 19348571
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
2-(10,10-dimethylundecoxy)-1H-imidazole
CID 150382579
1-[3-(1H-imidazol-2-yloxy)propyl]piperidine
CID 91011731
2-(sulfanyloxymethyl)-1H-imidazole
CID 170244271
sodium;hydride;1H-imidazol-2-yl acetate
CID 173104751
sodium;hydride;1H-imidazol-2-yl sulfite
CID 174926743
1H-imidazol-2-yl 2,2,2-trifluoroacetate
CID 57289417
1H-imidazol-2-yl pentanoate
CID 57278917
1H-imidazol-2-yl N-(2-methylpropyl)carbamate
CID 70568732
O-(1H-imidazol-2-yl) 2-amino-2-oxoethanethioate
CID 88516870

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yloxymethanethiol?
The IUPAC name of 1H-imidazol-2-yloxymethanethiol (CID 151803159) is 1H-imidazol-2-yloxymethanethiol.
What is the SMILES notation for 1H-imidazol-2-yloxymethanethiol?
The canonical SMILES for 1H-imidazol-2-yloxymethanethiol is SCOc1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-yloxymethanethiol?
The InChIKey is RZAUFKKAURQOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c8-3-7-4-5-1-2-6-4/h1-2,8H,3H2,(H,5,6).
What are the key properties of 1H-imidazol-2-yloxymethanethiol?
1H-imidazol-2-yloxymethanethiol has a molecular weight of 130.17 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yloxymethanethiol is sourced from PubChem (CID 151803159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).