4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen

C4H10N2S — CID 143389017

IUPAC4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen
SMILESCc1c[nH]c(=S)[nH]1.[H][H].[H][H]
InChIInChI=1S/C4H6N2S.2H2/c1-3-2-5-4(7)6-3;;/h2H,1H3,(H2,5,6,7);2*1H
InChIKeyFTBAEMGHIMPTGW-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.87
Rot. Bonds

About 4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen

4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen (PubChem CID 143389017) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is 4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen.

Molecular Properties

Compound Name4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen
PubChem CID143389017
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Name4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen
SMILESCc1c[nH]c(=S)[nH]1.[H][H].[H][H]
InChIInChI=1S/C4H6N2S.2H2/c1-3-2-5-4(7)6-3;;/h2H,1H3,(H2,5,6,7);2*1H
InChIKeyFTBAEMGHIMPTGW-UHFFFAOYSA-N
XLogP1.87
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 59645358
CID 59645358
4-(hydroxymethyl)-1,3-dihydroimidazole-2-thione
CID 23283879
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CID 13330680
5-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one;yttrium
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4-pentyl-1,3-dihydroimidazole-2-thione
CID 24839030
5-acetyl-2-sulfanylidene-1H-pyrimidin-4-one
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5-tert-butyl-2-sulfanylidene-1H-pyrimidin-4-one;naphthalene
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen?
The IUPAC name of 4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen (CID 143389017) is 4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen.
What is the SMILES notation for 4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen?
The canonical SMILES for 4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen is Cc1c[nH]c(=S)[nH]1.[H][H].[H][H].
What is the InChIKey of 4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen?
The InChIKey is FTBAEMGHIMPTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.2H2/c1-3-2-5-4(7)6-3;;/h2H,1H3,(H2,5,6,7);2*1H.
What are the key properties of 4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen?
4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen has a molecular weight of 118.20 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen is sourced from PubChem (CID 143389017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).