(4-phenyl-1H-imidazol-5-yl)methanethiol

C10H10N2S — CID 174434472

IUPAC(4-phenyl-1H-imidazol-5-yl)methanethiol
SMILESSCc1[nH]cnc1-c1ccccc1
InChIInChI=1S/C10H10N2S/c13-6-9-10(12-7-11-9)8-4-2-1-3-5-8/h1-5,7,13H,6H2,(H,11,12)
InChIKeyGQOZTOWHQPGIPX-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.51
Rot. Bonds2

About (4-phenyl-1H-imidazol-5-yl)methanethiol

(4-phenyl-1H-imidazol-5-yl)methanethiol (PubChem CID 174434472) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is (4-phenyl-1H-imidazol-5-yl)methanethiol.

Molecular Properties

Compound Name(4-phenyl-1H-imidazol-5-yl)methanethiol
PubChem CID174434472
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name(4-phenyl-1H-imidazol-5-yl)methanethiol
SMILESSCc1[nH]cnc1-c1ccccc1
InChIInChI=1S/C10H10N2S/c13-6-9-10(12-7-11-9)8-4-2-1-3-5-8/h1-5,7,13H,6H2,(H,11,12)
InChIKeyGQOZTOWHQPGIPX-UHFFFAOYSA-N
XLogP2.51
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (4-phenyl-1H-imidazol-5-yl)methanethiol?
The IUPAC name of (4-phenyl-1H-imidazol-5-yl)methanethiol (CID 174434472) is (4-phenyl-1H-imidazol-5-yl)methanethiol.
What is the SMILES notation for (4-phenyl-1H-imidazol-5-yl)methanethiol?
The canonical SMILES for (4-phenyl-1H-imidazol-5-yl)methanethiol is SCc1[nH]cnc1-c1ccccc1.
What is the InChIKey of (4-phenyl-1H-imidazol-5-yl)methanethiol?
The InChIKey is GQOZTOWHQPGIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c13-6-9-10(12-7-11-9)8-4-2-1-3-5-8/h1-5,7,13H,6H2,(H,11,12).
What are the key properties of (4-phenyl-1H-imidazol-5-yl)methanethiol?
(4-phenyl-1H-imidazol-5-yl)methanethiol has a molecular weight of 190.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-1H-imidazol-5-yl)methanethiol is sourced from PubChem (CID 174434472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).