3-(3-methylphenyl)-1H-imidazole-2-thione

C10H10N2S — CID 2760654

IUPAC3-(3-methylphenyl)-1H-imidazole-2-thione
SMILESCc1cccc(-n2cc[nH]c2=S)c1
InChIInChI=1S/C10H10N2S/c1-8-3-2-4-9(7-8)12-6-5-11-10(12)13/h2-7H,1H3,(H,11,13)
InChIKeyGJDRJIVMFXHPFP-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.84
Rot. Bonds1

About 3-(3-methylphenyl)-1H-imidazole-2-thione

3-(3-methylphenyl)-1H-imidazole-2-thione (PubChem CID 2760654) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(3-methylphenyl)-1H-imidazole-2-thione
PubChem CID2760654
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name3-(3-methylphenyl)-1H-imidazole-2-thione
SMILESCc1cccc(-n2cc[nH]c2=S)c1
InChIInChI=1S/C10H10N2S/c1-8-3-2-4-9(7-8)12-6-5-11-10(12)13/h2-7H,1H3,(H,11,13)
InChIKeyGJDRJIVMFXHPFP-UHFFFAOYSA-N
XLogP2.84
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Methylphenyl)thiourea
CID 2787703
1-Allyl-3-phenyl-2-thiourea
CID 1549745
Thiourea, (3-methylphenyl)-
CID 701727
Imidazole-2-thiol, 4-phenyl-
CID 1132611
1-Methyl-3-phenylthiourea
CID 698294
3,4-Dihydro-4,4,6-trimethyl-1-(2-methylphenyl)-2(1H)-pyrimidinethione
CID 3034175
Methiuron
CID 3034319
N-(2-Phenylethyl)-N'-phenylthiourea
CID 2760335
Thiourea, N-ethyl-N-phenyl-
CID 825369
p-Tolylthiourea
CID 722833
1-Methyl-1-phenylthiourea
CID 723631
Krm-iii
CID 736689

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(3-methylphenyl)-1H-imidazole-2-thione (CID 2760654) is 3-(3-methylphenyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(3-methylphenyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(3-methylphenyl)-1H-imidazole-2-thione is Cc1cccc(-n2cc[nH]c2=S)c1.
What is the InChIKey of 3-(3-methylphenyl)-1H-imidazole-2-thione?
The InChIKey is GJDRJIVMFXHPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-8-3-2-4-9(7-8)12-6-5-11-10(12)13/h2-7H,1H3,(H,11,13).
What are the key properties of 3-(3-methylphenyl)-1H-imidazole-2-thione?
3-(3-methylphenyl)-1H-imidazole-2-thione has a molecular weight of 190.27 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1H-imidazole-2-thione is sourced from PubChem (CID 2760654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).