1-methyl-2-methylsulfanyl-4,5-dihydroimidazole

C5H10N2S — CID 10396874

IUPAC1-methyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1C
InChIInChI=1S/C5H10N2S/c1-7-4-3-6-5(7)8-2/h3-4H2,1-2H3
InChIKeyPTFFWCHVBDAOMF-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.65
Rot. Bonds

About 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole

1-methyl-2-methylsulfanyl-4,5-dihydroimidazole (PubChem CID 10396874) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-methyl-2-methylsulfanyl-4,5-dihydroimidazole
PubChem CID10396874
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name1-methyl-2-methylsulfanyl-4,5-dihydroimidazole
SMILESCSC1=NCCN1C
InChIInChI=1S/C5H10N2S/c1-7-4-3-6-5(7)8-2/h3-4H2,1-2H3
InChIKeyPTFFWCHVBDAOMF-UHFFFAOYSA-N
XLogP0.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole hydroiodide
CID 12281505
5-Fluoro-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 134202148
1-Ethyl-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole
CID 12504492
2-Methylsulfanyl-1-propan-2-yl-4,5-dihydroimidazole
CID 12504493
1,3-Dimethyl-2-methylsulfanyl-4,5-dihydroimidazol-1-ium iodide
CID 12281507
methyl (NE)-N-(dimethylaminomethylidene)-N'-ethylcarbamimidothioate
CID 134894287
1-ethyl-2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodide
CID 75527806
3-methyl-2-methylsulfanyl-4,5-dihydro-1H-imidazol-3-ium
CID 12504485
N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 18728209
methyl N,N-diethyl-N'-methylcarbamimidothioate
CID 20148710
1-Methyl-2-methylsulfanyl-4,5-dihydroimidazole;hydrochloride
CID 21397120
methyl N,N'-diethyl-N-methylcarbamimidothioate
CID 57031942

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole (CID 10396874) is 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole is CSC1=NCCN1C.
What is the InChIKey of 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole?
The InChIKey is PTFFWCHVBDAOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-7-4-3-6-5(7)8-2/h3-4H2,1-2H3.
What are the key properties of 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole?
1-methyl-2-methylsulfanyl-4,5-dihydroimidazole has a molecular weight of 130.22 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 10396874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).