(1-methyl-4,5-dihydroimidazol-2-yl)methanethiol

C5H10N2S — CID 57292405

IUPAC(1-methyl-4,5-dihydroimidazol-2-yl)methanethiol
SMILESCN1CCN=C1CS
InChIInChI=1S/C5H10N2S/c1-7-3-2-6-5(7)4-8/h8H,2-4H2,1H3
InChIKeyHQQLJIQZCGHMEE-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.26
Rot. Bonds1

About (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol

(1-methyl-4,5-dihydroimidazol-2-yl)methanethiol (PubChem CID 57292405) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol.

Molecular Properties

Compound Name(1-methyl-4,5-dihydroimidazol-2-yl)methanethiol
PubChem CID57292405
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name(1-methyl-4,5-dihydroimidazol-2-yl)methanethiol
SMILESCN1CCN=C1CS
InChIInChI=1S/C5H10N2S/c1-7-3-2-6-5(7)4-8/h8H,2-4H2,1H3
InChIKeyHQQLJIQZCGHMEE-UHFFFAOYSA-N
XLogP0.26
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.26
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 (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol?
The IUPAC name of (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol (CID 57292405) is (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol.
What is the SMILES notation for (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol?
The canonical SMILES for (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol is CN1CCN=C1CS.
What is the InChIKey of (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol?
The InChIKey is HQQLJIQZCGHMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-7-3-2-6-5(7)4-8/h8H,2-4H2,1H3.
What are the key properties of (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol?
(1-methyl-4,5-dihydroimidazol-2-yl)methanethiol has a molecular weight of 130.22 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4,5-dihydroimidazol-2-yl)methanethiol is sourced from PubChem (CID 57292405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).