1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione

C7H12N2S2 — CID 22097466

IUPAC1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione
SMILESCCSC1=NCC(=S)N1CC
InChIInChI=1S/C7H12N2S2/c1-3-9-6(10)5-8-7(9)11-4-2/h3-5H2,1-2H3
InChIKeyUHFAWHKLDCGGOO-UHFFFAOYSA-N
MW188.32 g/mol
LogP1.76
Rot. Bonds2

About 1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione

1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione (PubChem CID 22097466) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione.

Molecular Properties

Compound Name1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione
PubChem CID22097466
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC Name1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione
SMILESCCSC1=NCC(=S)N1CC
InChIInChI=1S/C7H12N2S2/c1-3-9-6(10)5-8-7(9)11-4-2/h3-5H2,1-2H3
InChIKeyUHFAWHKLDCGGOO-UHFFFAOYSA-N
XLogP1.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
CID 12504492
N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 18728209
N,N-diethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 45088552
2-Ethylsulfanyl-1-iodo-4,5-dihydroimidazole
CID 141146937
2-Ethylsulfanyl-1-methyl-4,5-dihydroimidazole
CID 163826271
4-Thiazolidinethione, 3-methyl-2-(methylimino)-
CID 45118439
Cyanomethyl 2-methyl-4,5-dihydroimidazole-1-carbodithioate
CID 101790248

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione?
The IUPAC name of 1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione (CID 22097466) is 1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione.
What is the SMILES notation for 1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione?
The canonical SMILES for 1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione is CCSC1=NCC(=S)N1CC.
What is the InChIKey of 1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione?
The InChIKey is UHFAWHKLDCGGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S2/c1-3-9-6(10)5-8-7(9)11-4-2/h3-5H2,1-2H3.
What are the key properties of 1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione?
1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione has a molecular weight of 188.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-ethylsulfanyl-4H-imidazole-5-thione is sourced from PubChem (CID 22097466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).