2-[(S)-methylsulfinyl]-1H-imidazole

C4H6N2OS — CID 139179985

IUPAC2-[(S)-methylsulfinyl]-1H-imidazole
SMILESC[S@](=O)c1ncc[nH]1
InChIInChI=1S/C4H6N2OS/c1-8(7)4-5-2-3-6-4/h2-3H,1H3,(H,5,6)/t8-/m0/s1
InChIKeyXPHWTHKSSMRZLI-QMMMGPOBSA-N
MW130.17 g/mol
LogP0.15
Rot. Bonds1

About 2-[(S)-methylsulfinyl]-1H-imidazole

2-[(S)-methylsulfinyl]-1H-imidazole (PubChem CID 139179985) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-[(S)-methylsulfinyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(S)-methylsulfinyl]-1H-imidazole
PubChem CID139179985
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name2-[(S)-methylsulfinyl]-1H-imidazole
SMILESC[S@](=O)c1ncc[nH]1
InChIInChI=1S/C4H6N2OS/c1-8(7)4-5-2-3-6-4/h2-3H,1H3,(H,5,6)/t8-/m0/s1
InChIKeyXPHWTHKSSMRZLI-QMMMGPOBSA-N
XLogP0.15
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2,2-difluoro-2-[(S)-1H-imidazol-2-ylsulfinyl]acetate
CID 99982937
1-(1H-imidazol-2-yl)ethanesulfinate
CID 174573081
CID 158988424
CID 158988424
2-(3-methoxy-5-methylsulfinylthiophen-2-yl)-1H-imidazole
CID 70419813
tris(1H-imidazol-2-yl)silane
CID 123177194
sodium;2-methyl-1H-imidazole;chloride
CID 174938695
[(1E,3E)-hexa-1,3-dienyl]-(1H-imidazol-2-yl)-sulfanylidene-λ4-sulfane
CID 18723563
3-methyl-1H-pyrazin-2-one;hydrochloride
CID 70076933
methanol;2-methyl-1H-imidazole
CID 174899485
2-(1H-imidazol-2-ylsulfinylmethyl)-4-(3-methoxypropoxy)-3-methylpyridine
CID 22394091
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
azane;cobalt;1H-imidazole-2-carboxylic acid
CID 175883152

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-methylsulfinyl]-1H-imidazole?
The IUPAC name of 2-[(S)-methylsulfinyl]-1H-imidazole (CID 139179985) is 2-[(S)-methylsulfinyl]-1H-imidazole.
What is the SMILES notation for 2-[(S)-methylsulfinyl]-1H-imidazole?
The canonical SMILES for 2-[(S)-methylsulfinyl]-1H-imidazole is C[S@](=O)c1ncc[nH]1.
What is the InChIKey of 2-[(S)-methylsulfinyl]-1H-imidazole?
The InChIKey is XPHWTHKSSMRZLI-QMMMGPOBSA-N. The full InChI is InChI=1S/C4H6N2OS/c1-8(7)4-5-2-3-6-4/h2-3H,1H3,(H,5,6)/t8-/m0/s1.
What are the key properties of 2-[(S)-methylsulfinyl]-1H-imidazole?
2-[(S)-methylsulfinyl]-1H-imidazole has a molecular weight of 130.17 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-methylsulfinyl]-1H-imidazole is sourced from PubChem (CID 139179985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).