imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane

C5H10N2S2 — CID 146659083

IUPACimidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane
SMILESCS(C)(S)n1ccnc1
InChIInChI=1S/C5H10N2S2/c1-9(2,8)7-4-3-6-5-7/h3-5,8H,1-2H3
InChIKeyMTMGLPKNAFPKDI-UHFFFAOYSA-N
MW162.28 g/mol
LogP1.56
Rot. Bonds1

About imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane

imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane (PubChem CID 146659083) has the molecular formula C5H10N2S2 and a molecular weight of 162.28 g/mol. Its IUPAC name is imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane.

Molecular Properties

Compound Nameimidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane
PubChem CID146659083
Molecular FormulaC5H10N2S2
Molecular Weight162.28 g/mol
Exact Mass162.03
IUPAC Nameimidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane
SMILESCS(C)(S)n1ccnc1
InChIInChI=1S/C5H10N2S2/c1-9(2,8)7-4-3-6-5-7/h3-5,8H,1-2H3
InChIKeyMTMGLPKNAFPKDI-UHFFFAOYSA-N
XLogP1.56
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;imidazole-1-sulfonic acid
CID 174835950
hydron;1-methylimidazole
CID 67251829
N-tert-butylimidazole-1-sulfonamide
CID 174183105
azane;1-(4-methylphenyl)sulfonylimidazole
CID 174813676
1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole
CID 86634167
1-(4-nitrophenyl)sulfonylimidazole
CID 3563121
aluminum;bis(1-methylimidazole);trichloride
CID 22075407
1-(2,4-dichlorophenyl)sulfonylimidazole
CID 4914608
1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole
CID 846896
hydron;1-methylimidazole;tetrafluoroborate
CID 122361255
sodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide
CID 158158039
azane;1-methylimidazole;platinum(2+);dichloride
CID 10270176

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane?
The IUPAC name of imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane (CID 146659083) is imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane.
What is the SMILES notation for imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane?
The canonical SMILES for imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane is CS(C)(S)n1ccnc1.
What is the InChIKey of imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane?
The InChIKey is MTMGLPKNAFPKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S2/c1-9(2,8)7-4-3-6-5-7/h3-5,8H,1-2H3.
What are the key properties of imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane?
imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane has a molecular weight of 162.28 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane is sourced from PubChem (CID 146659083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).